Atoms Coordinates x,y,z of AlFe3

"AlFe3","的原子坐标"

"All data of bond length and atoms coordinates use lattice constant unit, i.e. a=1 "

"Origin at (0,0,0) and Reference atom at (0,0,0)"

"The atom at (0,0,0) bonds with as follows atoms of",1

"The point group CN (coordination number) =",1

"Atom coordinates x,y,z:"

0,0,0,

"The bond length =",0

 

"The atom at (0,0,0) bonds with as follows atoms of",8

"The point group CN (coordination number) =",8

"Atom coordinates x,y,z:"

-.25,-.25,-.25,

-.25,-.25,.25,

-.25,.25,-.25,

-.25,.25,.25,

.25,-.25,-.25,

.25,-.25,.25,

.25,.25,-.25,

.25,.25,.25,

"The bond length =",.433012701892219

 

"The atom at (0,0,0) bonds with as follows atoms of",6

"The point group CN (coordination number) =",6

"Atom coordinates x,y,z:"

-.5,0,0,

0,-.5,0,

0,0,-.5,

0,0,.5,

0,.5,0,

.5,0,0,

"The bond length =",.5

 

"The atom at (0,0,0) bonds with as follows atoms of",12

"The point group CN (coordination number) =",12

"Atom coordinates x,y,z:"

-.5,-.5,0,

-.5,0,-.5,

-.5,0,.5,

-.5,.5,0,

0,-.5,-.5,

0,-.5,.5,

0,.5,-.5,

0,.5,.5,

.5,-.5,0,

.5,0,-.5,

.5,0,.5,

.5,.5,0,

"The bond length =",.707106781186548

 

"The atom at (0,0,0) bonds with as follows atoms of",24

"The point group CN (coordination number) =",24

"Atom coordinates x,y,z:"

-.75,-.25,-.25,

-.75,-.25,.25,

-.75,.25,-.25,

-.75,.25,.25,

-.25,-.75,-.25,

-.25,-.75,.25,

-.25,-.25,-.75,

-.25,-.25,.75,

-.25,.25,-.75,

-.25,.25,.75,

-.25,.75,-.25,

-.25,.75,.25,

.25,-.75,-.25,

.25,-.75,.25,

.25,-.25,-.75,

.25,-.25,.75,

.25,.25,-.75,

.25,.25,.75,

.25,.75,-.25,

.25,.75,.25,

.75,-.25,-.25,

.75,-.25,.25,

.75,.25,-.25,

.75,.25,.25,

"The bond length =",.82915619758885

 

"The atom at (0,0,0) bonds with as follows atoms of",8

"The point group CN (coordination number) =",8

"Atom coordinates x,y,z:"

-.5,-.5,-.5,

-.5,-.5,.5,

-.5,.5,-.5,

-.5,.5,.5,

.5,-.5,-.5,

.5,-.5,.5,

.5,.5,-.5,

.5,.5,.5,

"The bond length =",.866025403784439

 

"The atom at (0,0,0) bonds with as follows atoms of",6

"The point group CN (coordination number) =",6

"Atom coordinates x,y,z:"

-1,0,0,

0,-1,0,

0,0,-1,

0,0,1,

0,1,0,

1,0,0,

"The bond length =",1

 

"The atom at (0,0,0) bonds with as follows atoms of",24

"The point group CN (coordination number) =",24

"Atom coordinates x,y,z:"

-.75,-.75,-.25,

-.75,-.75,.25,

-.75,-.25,-.75,

-.75,-.25,.75,

-.75,.25,-.75,

-.75,.25,.75,

-.75,.75,-.25,

-.75,.75,.25,

-.25,-.75,-.75,

-.25,-.75,.75,

-.25,.75,-.75,

-.25,.75,.75,

.25,-.75,-.75,

.25,-.75,.75,

.25,.75,-.75,

.25,.75,.75,

.75,-.75,-.25,

.75,-.75,.25,

.75,-.25,-.75,

.75,-.25,.75,

.75,.25,-.75,

.75,.25,.75,

.75,.75,-.25,

.75,.75,.25,

"The bond length =",1.08972473588517

 

"The atom at (0,0,0) bonds with as follows atoms of",24

"The point group CN (coordination number) =",24

"Atom coordinates x,y,z:"

-1,-.5,0,

-1,0,-.5,

-1,0,.5,

-1,.5,0,

-.5,-1,0,

-.5,0,-1,

-.5,0,1,

-.5,1,0,

0,-1,-.5,

0,-1,.5,

0,-.5,-1,

0,-.5,1,

0,.5,-1,

0,.5,1,

0,1,-.5,

0,1,.5,

.5,-1,0,

.5,0,-1,

.5,0,1,

.5,1,0,

1,-.5,0,

1,0,-.5,

1,0,.5,

1,.5,0,

"The bond length =",1.11803398874989

 

"The atom at (0,0,0) bonds with as follows atoms of",24

"The point group CN (coordination number) =",24

"Atom coordinates x,y,z:"

-1,-.5,-.5,

-1,-.5,.5,

-1,.5,-.5,

-1,.5,.5,

-.5,-1,-.5,

-.5,-1,.5,

-.5,-.5,-1,

-.5,-.5,1,

-.5,.5,-1,

-.5,.5,1,

-.5,1,-.5,

-.5,1,.5,

.5,-1,-.5,

.5,-1,.5,

.5,-.5,-1,

.5,-.5,1,

.5,.5,-1,

.5,.5,1,

.5,1,-.5,

.5,1,.5,

1,-.5,-.5,

1,-.5,.5,

1,.5,-.5,

1,.5,.5,

"The bond length =",1.22474487139159

 

"The atom at (0,0,0) bonds with as follows atoms of",8

"The point group CN (coordination number) =",8

"Atom coordinates x,y,z:"

-.75,-.75,-.75,

-.75,-.75,.75,

-.75,.75,-.75,

-.75,.75,.75,

.75,-.75,-.75,

.75,-.75,.75,

.75,.75,-.75,

.75,.75,.75,

"The bond length =",1.29903810567666

 

"The atom at (0,0,0) bonds with as follows atoms of",12

"The point group CN (coordination number) =",12

"Atom coordinates x,y,z:"

-1,-1,0,

-1,0,-1,

-1,0,1,

-1,1,0,

0,-1,-1,

0,-1,1,

0,1,-1,

0,1,1,

1,-1,0,

1,0,-1,

1,0,1,

1,1,0,

"The bond length =",1.4142135623731

 

"The atom at (0,0,0) bonds with as follows atoms of",24

"The point group CN (coordination number) =",24

"Atom coordinates x,y,z:"

-1,-1,-.5,

-1,-1,.5,

-1,-.5,-1,

-1,-.5,1,

-1,.5,-1,

-1,.5,1,

-1,1,-.5,

-1,1,.5,

-.5,-1,-1,

-.5,-1,1,

-.5,1,-1,

-.5,1,1,

.5,-1,-1,

.5,-1,1,

.5,1,-1,

.5,1,1,

1,-1,-.5,

1,-1,.5,

1,-.5,-1,

1,-.5,1,

1,.5,-1,

1,.5,1,

1,1,-.5,

1,1,.5,

"The bond length =",1.5

 

"The atom at (0,0,0) bonds with as follows atoms of",8

"The point group CN (coordination number) =",8

"Atom coordinates x,y,z:"

-1,-1,-1,

-1,-1,1,

-1,1,-1,

-1,1,1,

1,-1,-1,

1,-1,1,

1,1,-1,

1,1,1,

"The bond length =",1.73205080756888

 

"The unit cell involves atoms of ",35

 

"Al at 4a Positions","The unit cell involves atom of",1

"Atom coordinates x,y,z:"

0,0,0,

 

"Fe at 8c Positions","The unit cell involves atom of",1

"Atom coordinates x,y,z:"

.25,.25,.25,

 

"Fe at 4b Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

0,0,.5,

0,.5,0,

.5,0,0,

 

"Al at 4a Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

0,.5,.5,

.5,0,.5,

.5,.5,0,

 

"Fe at 8c Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

.25,.25,.75,

.25,.75,.25,

.75,.25,.25,

 

"Fe at 4b Positions","The unit cell involves atom of",1

"Atom coordinates x,y,z:"

.5,.5,.5,

 

"Al at 4a Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

0,0,1,

0,1,0,

1,0,0,

 

"Fe at 8c Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

.25,.75,.75,

.75,.25,.75,

.75,.75,.25,

 

"Fe at 4b Positions","The unit cell involves atom of",6

"Atom coordinates x,y,z:"

0,.5,1,

0,1,.5,

.5,0,1,

.5,1,0,

1,0,.5,

1,.5,0,

 

"Al at 4a Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

.5,.5,1,

.5,1,.5,

1,.5,.5,

 

"Fe at 8c Positions","The unit cell involves atom of",1

"Atom coordinates x,y,z:"

.75,.75,.75,

 

"Al at 4a Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

0,1,1,

1,0,1,

1,1,0,

 

"Fe at 4b Positions","The unit cell involves atom of",3

"Atom coordinates x,y,z:"

.5,1,1,

1,.5,1,

1,1,.5,

 

"Al at 4a Positions","The unit cell involves atom of",1

"Atom coordinates x,y,z:"

1,1,1,

 

"**: Above atoms coordinates sorted by point group"

 

"There are ",13,"kinds of bonds (interatomic distances) in unit cell"

"The unit cell involves",35,"atoms, and they make",595,"bonds"

"No",1,"of",595,"bonds"

"atom No",1,"----","atom No",2

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.25,.25,.25,

"The bond length =",.4330127

 

"No",2,"of",595,"bonds"

"atom No",2,"----","atom No",3

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",0,0,.5,

"The bond length =",.4330127

 

"No",3,"of",595,"bonds"

"atom No",2,"----","atom No",4

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",0,.5,0,

"The bond length =",.4330127

 

"No",4,"of",595,"bonds"

"atom No",2,"----","atom No",5

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",.5,0,0,

"The bond length =",.4330127

 

"No",5,"of",595,"bonds"

"atom No",2,"----","atom No",6

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",0,.5,.5,

"The bond length =",.4330127

 

"No",6,"of",595,"bonds"

"atom No",2,"----","atom No",7

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",.5,0,.5,

"The bond length =",.4330127

 

"No",7,"of",595,"bonds"

"atom No",2,"----","atom No",8

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",.5,.5,0,

"The bond length =",.4330127

 

"No",8,"of",595,"bonds"

"atom No",2,"----","atom No",12

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",.5,.5,.5,

"The bond length =",.4330127

 

"No",9,"of",595,"bonds"

"atom No",3,"----","atom No",9

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.25,.25,.75,

"The bond length =",.4330127

 

"No",10,"of",595,"bonds"

"atom No",4,"----","atom No",10

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.25,.75,.25,

"The bond length =",.4330127

 

"No",11,"of",595,"bonds"

"atom No",5,"----","atom No",11

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.75,.25,.25,

"The bond length =",.4330127

 

"No",12,"of",595,"bonds"

"atom No",6,"----","atom No",9

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.25,.25,.75,

"The bond length =",.4330127

 

"No",13,"of",595,"bonds"

"atom No",6,"----","atom No",10

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.25,.75,.25,

"The bond length =",.4330127

 

"No",14,"of",595,"bonds"

"atom No",6,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.25,.75,.75,

"The bond length =",.4330127

 

"No",15,"of",595,"bonds"

"atom No",7,"----","atom No",9

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.25,.25,.75,

"The bond length =",.4330127

 

"No",16,"of",595,"bonds"

"atom No",7,"----","atom No",11

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.75,.25,.25,

"The bond length =",.4330127

 

"No",17,"of",595,"bonds"

"atom No",7,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.75,.25,.75,

"The bond length =",.4330127

 

"No",18,"of",595,"bonds"

"atom No",8,"----","atom No",10

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.25,.75,.25,

"The bond length =",.4330127

 

"No",19,"of",595,"bonds"

"atom No",8,"----","atom No",11

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.75,.25,.25,

"The bond length =",.4330127

 

"No",20,"of",595,"bonds"

"atom No",8,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.75,.75,.25,

"The bond length =",.4330127

 

"No",21,"of",595,"bonds"

"atom No",9,"----","atom No",12

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",.5,.5,.5,

"The bond length =",.4330127

 

"No",22,"of",595,"bonds"

"atom No",9,"----","atom No",13

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",0,0,1,

"The bond length =",.4330127

 

"No",23,"of",595,"bonds"

"atom No",9,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",0,.5,1,

"The bond length =",.4330127

 

"No",24,"of",595,"bonds"

"atom No",9,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",.5,0,1,

"The bond length =",.4330127

 

"No",25,"of",595,"bonds"

"atom No",9,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",.5,.5,1,

"The bond length =",.4330127

 

"No",26,"of",595,"bonds"

"atom No",10,"----","atom No",12

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",.5,.5,.5,

"The bond length =",.4330127

 

"No",27,"of",595,"bonds"

"atom No",10,"----","atom No",14

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",0,1,0,

"The bond length =",.4330127

 

"No",28,"of",595,"bonds"

"atom No",10,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",0,1,.5,

"The bond length =",.4330127

 

"No",29,"of",595,"bonds"

"atom No",10,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",.5,1,0,

"The bond length =",.4330127

 

"No",30,"of",595,"bonds"

"atom No",10,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",.5,1,.5,

"The bond length =",.4330127

 

"No",31,"of",595,"bonds"

"atom No",11,"----","atom No",12

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",.5,.5,.5,

"The bond length =",.4330127

 

"No",32,"of",595,"bonds"

"atom No",11,"----","atom No",15

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",1,0,0,

"The bond length =",.4330127

 

"No",33,"of",595,"bonds"

"atom No",11,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",1,0,.5,

"The bond length =",.4330127

 

"No",34,"of",595,"bonds"

"atom No",11,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",1,.5,0,

"The bond length =",.4330127

 

"No",35,"of",595,"bonds"

"atom No",11,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",1,.5,.5,

"The bond length =",.4330127

 

"No",36,"of",595,"bonds"

"atom No",12,"----","atom No",16

"Fe at 4b Positions-----Fe at 8c Positions"

.5,.5,.5,"  ",.25,.75,.75,

"The bond length =",.4330127

 

"No",37,"of",595,"bonds"

"atom No",12,"----","atom No",17

"Fe at 4b Positions-----Fe at 8c Positions"

.5,.5,.5,"  ",.75,.25,.75,

"The bond length =",.4330127

 

"No",38,"of",595,"bonds"

"atom No",12,"----","atom No",18

"Fe at 4b Positions-----Fe at 8c Positions"

.5,.5,.5,"  ",.75,.75,.25,

"The bond length =",.4330127

 

"No",39,"of",595,"bonds"

"atom No",12,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

.5,.5,.5,"  ",.75,.75,.75,

"The bond length =",.4330127

 

"No",40,"of",595,"bonds"

"atom No",16,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",0,.5,1,

"The bond length =",.4330127

 

"No",41,"of",595,"bonds"

"atom No",16,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",0,1,.5,

"The bond length =",.4330127

 

"No",42,"of",595,"bonds"

"atom No",16,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",.5,.5,1,

"The bond length =",.4330127

 

"No",43,"of",595,"bonds"

"atom No",16,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",.5,1,.5,

"The bond length =",.4330127

 

"No",44,"of",595,"bonds"

"atom No",16,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",0,1,1,

"The bond length =",.4330127

 

"No",45,"of",595,"bonds"

"atom No",16,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",.5,1,1,

"The bond length =",.4330127

 

"No",46,"of",595,"bonds"

"atom No",17,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",.5,0,1,

"The bond length =",.4330127

 

"No",47,"of",595,"bonds"

"atom No",17,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",1,0,.5,

"The bond length =",.4330127

 

"No",48,"of",595,"bonds"

"atom No",17,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",.5,.5,1,

"The bond length =",.4330127

 

"No",49,"of",595,"bonds"

"atom No",17,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",1,.5,.5,

"The bond length =",.4330127

 

"No",50,"of",595,"bonds"

"atom No",17,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",1,0,1,

"The bond length =",.4330127

 

"No",51,"of",595,"bonds"

"atom No",17,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",1,.5,1,

"The bond length =",.4330127

 

"No",52,"of",595,"bonds"

"atom No",18,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",.5,1,0,

"The bond length =",.4330127

 

"No",53,"of",595,"bonds"

"atom No",18,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",1,.5,0,

"The bond length =",.4330127

 

"No",54,"of",595,"bonds"

"atom No",18,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",.5,1,.5,

"The bond length =",.4330127

 

"No",55,"of",595,"bonds"

"atom No",18,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",1,.5,.5,

"The bond length =",.4330127

 

"No",56,"of",595,"bonds"

"atom No",18,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",1,1,0,

"The bond length =",.4330127

 

"No",57,"of",595,"bonds"

"atom No",18,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",1,1,.5,

"The bond length =",.4330127

 

"No",58,"of",595,"bonds"

"atom No",25,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,1,"  ",.75,.75,.75,

"The bond length =",.4330127

 

"No",59,"of",595,"bonds"

"atom No",26,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

.5,1,.5,"  ",.75,.75,.75,

"The bond length =",.4330127

 

"No",60,"of",595,"bonds"

"atom No",27,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

1,.5,.5,"  ",.75,.75,.75,

"The bond length =",.4330127

 

"No",61,"of",595,"bonds"

"atom No",28,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.75,"  ",.5,1,1,

"The bond length =",.4330127

 

"No",62,"of",595,"bonds"

"atom No",28,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.75,"  ",1,.5,1,

"The bond length =",.4330127

 

"No",63,"of",595,"bonds"

"atom No",28,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.75,"  ",1,1,.5,

"The bond length =",.4330127

 

"No",64,"of",595,"bonds"

"atom No",28,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.75,"  ",1,1,1,

"The bond length =",.4330127

 

"No",65,"of",595,"bonds"

"atom No",7,"----","atom No",12

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",.5,.5,.5,

"The bond length =",.5

 

"No",66,"of",595,"bonds"

"atom No",1,"----","atom No",4

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",0,.5,0,

"The bond length =",.5

 

"No",67,"of",595,"bonds"

"atom No",7,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",.5,0,1,

"The bond length =",.5

 

"No",68,"of",595,"bonds"

"atom No",7,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",1,0,.5,

"The bond length =",.5

 

"No",69,"of",595,"bonds"

"atom No",12,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",.5,.5,1,

"The bond length =",.5

 

"No",70,"of",595,"bonds"

"atom No",12,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",.5,1,.5,

"The bond length =",.5

 

"No",71,"of",595,"bonds"

"atom No",12,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",1,.5,.5,

"The bond length =",.5

 

"No",72,"of",595,"bonds"

"atom No",3,"----","atom No",13

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",0,0,1,

"The bond length =",.5

 

"No",73,"of",595,"bonds"

"atom No",13,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",0,.5,1,

"The bond length =",.5

 

"No",74,"of",595,"bonds"

"atom No",13,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",.5,0,1,

"The bond length =",.5

 

"No",75,"of",595,"bonds"

"atom No",14,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",0,1,.5,

"The bond length =",.5

 

"No",76,"of",595,"bonds"

"atom No",14,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",.5,1,0,

"The bond length =",.5

 

"No",77,"of",595,"bonds"

"atom No",15,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",1,0,.5,

"The bond length =",.5

 

"No",78,"of",595,"bonds"

"atom No",15,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",1,.5,0,

"The bond length =",.5

 

"No",79,"of",595,"bonds"

"atom No",4,"----","atom No",6

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",0,.5,.5,

"The bond length =",.5

 

"No",80,"of",595,"bonds"

"atom No",8,"----","atom No",12

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",.5,.5,.5,

"The bond length =",.5

 

"No",81,"of",595,"bonds"

"atom No",4,"----","atom No",8

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",.5,.5,0,

"The bond length =",.5

 

"No",82,"of",595,"bonds"

"atom No",8,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",.5,1,0,

"The bond length =",.5

 

"No",83,"of",595,"bonds"

"atom No",16,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.75,"  ",.75,.75,.75,

"The bond length =",.5

 

"No",84,"of",595,"bonds"

"atom No",8,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",1,.5,0,

"The bond length =",.5

 

"No",85,"of",595,"bonds"

"atom No",1,"----","atom No",5

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",.5,0,0,

"The bond length =",.5

 

"No",86,"of",595,"bonds"

"atom No",4,"----","atom No",14

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",0,1,0,

"The bond length =",.5

 

"No",87,"of",595,"bonds"

"atom No",9,"----","atom No",16

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.25,.75,.75,

"The bond length =",.5

 

"No",88,"of",595,"bonds"

"atom No",9,"----","atom No",17

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.75,.25,.75,

"The bond length =",.5

 

"No",89,"of",595,"bonds"

"atom No",5,"----","atom No",7

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",.5,0,.5,

"The bond length =",.5

 

"No",90,"of",595,"bonds"

"atom No",17,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.75,"  ",.75,.75,.75,

"The bond length =",.5

 

"No",91,"of",595,"bonds"

"atom No",5,"----","atom No",8

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",.5,.5,0,

"The bond length =",.5

 

"No",92,"of",595,"bonds"

"atom No",2,"----","atom No",9

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.25,.25,.75,

"The bond length =",.5

 

"No",93,"of",595,"bonds"

"atom No",5,"----","atom No",15

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",1,0,0,

"The bond length =",.5

 

"No",94,"of",595,"bonds"

"atom No",2,"----","atom No",10

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.25,.75,.25,

"The bond length =",.5

 

"No",95,"of",595,"bonds"

"atom No",10,"----","atom No",16

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.25,"  ",.25,.75,.75,

"The bond length =",.5

 

"No",96,"of",595,"bonds"

"atom No",10,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.25,"  ",.75,.75,.25,

"The bond length =",.5

 

"No",97,"of",595,"bonds"

"atom No",18,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.75,.25,"  ",.75,.75,.75,

"The bond length =",.5

 

"No",98,"of",595,"bonds"

"atom No",2,"----","atom No",11

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.75,.25,.25,

"The bond length =",.5

 

"No",99,"of",595,"bonds"

"atom No",6,"----","atom No",12

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",.5,.5,.5,

"The bond length =",.5

 

"No",100,"of",595,"bonds"

"atom No",19,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",.5,.5,1,

"The bond length =",.5

 

"No",101,"of",595,"bonds"

"atom No",19,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",0,1,1,

"The bond length =",.5

 

"No",102,"of",595,"bonds"

"atom No",20,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",.5,1,.5,

"The bond length =",.5

 

"No",103,"of",595,"bonds"

"atom No",20,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",0,1,1,

"The bond length =",.5

 

"No",104,"of",595,"bonds"

"atom No",21,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",.5,.5,1,

"The bond length =",.5

 

"No",105,"of",595,"bonds"

"atom No",21,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",1,0,1,

"The bond length =",.5

 

"No",106,"of",595,"bonds"

"atom No",22,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",.5,1,.5,

"The bond length =",.5

 

"No",107,"of",595,"bonds"

"atom No",22,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",1,1,0,

"The bond length =",.5

 

"No",108,"of",595,"bonds"

"atom No",23,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",1,.5,.5,

"The bond length =",.5

 

"No",109,"of",595,"bonds"

"atom No",23,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",1,0,1,

"The bond length =",.5

 

"No",110,"of",595,"bonds"

"atom No",24,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",1,.5,.5,

"The bond length =",.5

 

"No",111,"of",595,"bonds"

"atom No",24,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",1,1,0,

"The bond length =",.5

 

"No",112,"of",595,"bonds"

"atom No",1,"----","atom No",3

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",0,0,.5,

"The bond length =",.5

 

"No",113,"of",595,"bonds"

"atom No",25,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,1,"  ",.5,1,1,

"The bond length =",.5

 

"No",114,"of",595,"bonds"

"atom No",25,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,1,"  ",1,.5,1,

"The bond length =",.5

 

"No",115,"of",595,"bonds"

"atom No",6,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",0,.5,1,

"The bond length =",.5

 

"No",116,"of",595,"bonds"

"atom No",26,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

.5,1,.5,"  ",.5,1,1,

"The bond length =",.5

 

"No",117,"of",595,"bonds"

"atom No",26,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

.5,1,.5,"  ",1,1,.5,

"The bond length =",.5

 

"No",118,"of",595,"bonds"

"atom No",6,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",0,1,.5,

"The bond length =",.5

 

"No",119,"of",595,"bonds"

"atom No",27,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

1,.5,.5,"  ",1,.5,1,

"The bond length =",.5

 

"No",120,"of",595,"bonds"

"atom No",27,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

1,.5,.5,"  ",1,1,.5,

"The bond length =",.5

 

"No",121,"of",595,"bonds"

"atom No",11,"----","atom No",17

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.25,"  ",.75,.25,.75,

"The bond length =",.5

 

"No",122,"of",595,"bonds"

"atom No",11,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.25,"  ",.75,.75,.25,

"The bond length =",.5

 

"No",123,"of",595,"bonds"

"atom No",3,"----","atom No",6

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",0,.5,.5,

"The bond length =",.5

 

"No",124,"of",595,"bonds"

"atom No",3,"----","atom No",7

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",.5,0,.5,

"The bond length =",.5

 

"No",125,"of",595,"bonds"

"atom No",29,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

0,1,1,"  ",.5,1,1,

"The bond length =",.5

 

"No",126,"of",595,"bonds"

"atom No",30,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

1,0,1,"  ",1,.5,1,

"The bond length =",.5

 

"No",127,"of",595,"bonds"

"atom No",31,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

1,1,0,"  ",1,1,.5,

"The bond length =",.5

 

"No",128,"of",595,"bonds"

"atom No",32,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,1,"  ",1,1,1,

"The bond length =",.5

 

"No",129,"of",595,"bonds"

"atom No",33,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,1,"  ",1,1,1,

"The bond length =",.5

 

"No",130,"of",595,"bonds"

"atom No",34,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

1,1,.5,"  ",1,1,1,

"The bond length =",.5

 

"No",131,"of",595,"bonds"

"atom No",8,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",.5,1,.5,

"The bond length =",.7071068

 

"No",132,"of",595,"bonds"

"atom No",15,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",1,.5,.5,

"The bond length =",.7071068

 

"No",133,"of",595,"bonds"

"atom No",16,"----","atom No",17

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.75,"  ",.75,.25,.75,

"The bond length =",.7071068

 

"No",134,"of",595,"bonds"

"atom No",16,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.75,"  ",.75,.75,.25,

"The bond length =",.7071068

 

"No",135,"of",595,"bonds"

"atom No",8,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",1,.5,.5,

"The bond length =",.7071068

 

"No",136,"of",595,"bonds"

"atom No",8,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",1,1,0,

"The bond length =",.7071068

 

"No",137,"of",595,"bonds"

"atom No",9,"----","atom No",10

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.25,.75,.25,

"The bond length =",.7071068

 

"No",138,"of",595,"bonds"

"atom No",9,"----","atom No",11

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.75,.25,.25,

"The bond length =",.7071068

 

"No",139,"of",595,"bonds"

"atom No",6,"----","atom No",7

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",.5,0,.5,

"The bond length =",.7071068

 

"No",140,"of",595,"bonds"

"atom No",6,"----","atom No",8

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",.5,.5,0,

"The bond length =",.7071068

 

"No",141,"of",595,"bonds"

"atom No",2,"----","atom No",16

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.25,.75,.75,

"The bond length =",.7071068

 

"No",142,"of",595,"bonds"

"atom No",17,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.75,"  ",.75,.75,.25,

"The bond length =",.7071068

 

"No",143,"of",595,"bonds"

"atom No",3,"----","atom No",19

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",0,.5,1,

"The bond length =",.7071068

 

"No",144,"of",595,"bonds"

"atom No",3,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",.5,0,1,

"The bond length =",.7071068

 

"No",145,"of",595,"bonds"

"atom No",6,"----","atom No",13

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",0,0,1,

"The bond length =",.7071068

 

"No",146,"of",595,"bonds"

"atom No",6,"----","atom No",14

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",0,1,0,

"The bond length =",.7071068

 

"No",147,"of",595,"bonds"

"atom No",9,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.75,.75,.75,

"The bond length =",.7071068

 

"No",148,"of",595,"bonds"

"atom No",10,"----","atom No",11

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.25,"  ",.75,.25,.25,

"The bond length =",.7071068

 

"No",149,"of",595,"bonds"

"atom No",4,"----","atom No",5

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",.5,0,0,

"The bond length =",.7071068

 

"No",150,"of",595,"bonds"

"atom No",2,"----","atom No",17

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.75,.25,.75,

"The bond length =",.7071068

 

"No",151,"of",595,"bonds"

"atom No",2,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.75,.75,.25,

"The bond length =",.7071068

 

"No",152,"of",595,"bonds"

"atom No",6,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",.5,.5,1,

"The bond length =",.7071068

 

"No",153,"of",595,"bonds"

"atom No",6,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",.5,1,.5,

"The bond length =",.7071068

 

"No",154,"of",595,"bonds"

"atom No",6,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",0,1,1,

"The bond length =",.7071068

 

"No",155,"of",595,"bonds"

"atom No",7,"----","atom No",8

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",.5,.5,0,

"The bond length =",.7071068

 

"No",156,"of",595,"bonds"

"atom No",10,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.25,"  ",.75,.75,.75,

"The bond length =",.7071068

 

"No",157,"of",595,"bonds"

"atom No",19,"----","atom No",20

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",0,1,.5,

"The bond length =",.7071068

 

"No",158,"of",595,"bonds"

"atom No",19,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",.5,0,1,

"The bond length =",.7071068

 

"No",159,"of",595,"bonds"

"atom No",3,"----","atom No",4

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",0,.5,0,

"The bond length =",.7071068

 

"No",160,"of",595,"bonds"

"atom No",4,"----","atom No",12

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",.5,.5,.5,

"The bond length =",.7071068

 

"No",161,"of",595,"bonds"

"atom No",19,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",.5,1,1,

"The bond length =",.7071068

 

"No",162,"of",595,"bonds"

"atom No",20,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",.5,1,0,

"The bond length =",.7071068

 

"No",163,"of",595,"bonds"

"atom No",3,"----","atom No",5

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",.5,0,0,

"The bond length =",.7071068

 

"No",164,"of",595,"bonds"

"atom No",7,"----","atom No",13

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",0,0,1,

"The bond length =",.7071068

 

"No",165,"of",595,"bonds"

"atom No",20,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",.5,1,1,

"The bond length =",.7071068

 

"No",166,"of",595,"bonds"

"atom No",21,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",1,0,.5,

"The bond length =",.7071068

 

"No",167,"of",595,"bonds"

"atom No",7,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",1,0,0,

"The bond length =",.7071068

 

"No",168,"of",595,"bonds"

"atom No",4,"----","atom No",20

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",0,1,.5,

"The bond length =",.7071068

 

"No",169,"of",595,"bonds"

"atom No",21,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",1,.5,1,

"The bond length =",.7071068

 

"No",170,"of",595,"bonds"

"atom No",22,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,0,"  ",1,.5,0,

"The bond length =",.7071068

 

"No",171,"of",595,"bonds"

"atom No",4,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",.5,1,0,

"The bond length =",.7071068

 

"No",172,"of",595,"bonds"

"atom No",11,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.25,"  ",.75,.75,.75,

"The bond length =",.7071068

 

"No",173,"of",595,"bonds"

"atom No",22,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,0,"  ",1,1,.5,

"The bond length =",.7071068

 

"No",174,"of",595,"bonds"

"atom No",23,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

1,0,.5,"  ",1,.5,0,

"The bond length =",.7071068

 

"No",175,"of",595,"bonds"

"atom No",1,"----","atom No",7

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",.5,0,.5,

"The bond length =",.7071068

 

"No",176,"of",595,"bonds"

"atom No",7,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",.5,.5,1,

"The bond length =",.7071068

 

"No",177,"of",595,"bonds"

"atom No",23,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

1,0,.5,"  ",1,.5,1,

"The bond length =",.7071068

 

"No",178,"of",595,"bonds"

"atom No",7,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",1,.5,.5,

"The bond length =",.7071068

 

"No",179,"of",595,"bonds"

"atom No",12,"----","atom No",19

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",0,.5,1,

"The bond length =",.7071068

 

"No",180,"of",595,"bonds"

"atom No",24,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

1,.5,0,"  ",1,1,.5,

"The bond length =",.7071068

 

"No",181,"of",595,"bonds"

"atom No",25,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",.5,1,.5,

"The bond length =",.7071068

 

"No",182,"of",595,"bonds"

"atom No",25,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",1,.5,.5,

"The bond length =",.7071068

 

"No",183,"of",595,"bonds"

"atom No",12,"----","atom No",20

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",0,1,.5,

"The bond length =",.7071068

 

"No",184,"of",595,"bonds"

"atom No",25,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",0,1,1,

"The bond length =",.7071068

 

"No",185,"of",595,"bonds"

"atom No",25,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",1,0,1,

"The bond length =",.7071068

 

"No",186,"of",595,"bonds"

"atom No",12,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",.5,0,1,

"The bond length =",.7071068

 

"No",187,"of",595,"bonds"

"atom No",12,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",.5,1,0,

"The bond length =",.7071068

 

"No",188,"of",595,"bonds"

"atom No",25,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",1,1,1,

"The bond length =",.7071068

 

"No",189,"of",595,"bonds"

"atom No",26,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

.5,1,.5,"  ",1,.5,.5,

"The bond length =",.7071068

 

"No",190,"of",595,"bonds"

"atom No",12,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",1,0,.5,

"The bond length =",.7071068

 

"No",191,"of",595,"bonds"

"atom No",26,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

.5,1,.5,"  ",0,1,1,

"The bond length =",.7071068

 

"No",192,"of",595,"bonds"

"atom No",26,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

.5,1,.5,"  ",1,1,0,

"The bond length =",.7071068

 

"No",193,"of",595,"bonds"

"atom No",12,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",1,.5,0,

"The bond length =",.7071068

 

"No",194,"of",595,"bonds"

"atom No",7,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",1,0,1,

"The bond length =",.7071068

 

"No",195,"of",595,"bonds"

"atom No",26,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

.5,1,.5,"  ",1,1,1,

"The bond length =",.7071068

 

"No",196,"of",595,"bonds"

"atom No",1,"----","atom No",8

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",.5,.5,0,

"The bond length =",.7071068

 

"No",197,"of",595,"bonds"

"atom No",27,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

1,.5,.5,"  ",1,0,1,

"The bond length =",.7071068

 

"No",198,"of",595,"bonds"

"atom No",27,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

1,.5,.5,"  ",1,1,0,

"The bond length =",.7071068

 

"No",199,"of",595,"bonds"

"atom No",1,"----","atom No",6

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",0,.5,.5,

"The bond length =",.7071068

 

"No",200,"of",595,"bonds"

"atom No",5,"----","atom No",12

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",.5,.5,.5,

"The bond length =",.7071068

 

"No",201,"of",595,"bonds"

"atom No",27,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

1,.5,.5,"  ",1,1,1,

"The bond length =",.7071068

 

"No",202,"of",595,"bonds"

"atom No",12,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",.5,1,1,

"The bond length =",.7071068

 

"No",203,"of",595,"bonds"

"atom No",12,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",1,.5,1,

"The bond length =",.7071068

 

"No",204,"of",595,"bonds"

"atom No",12,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

.5,.5,.5,"  ",1,1,.5,

"The bond length =",.7071068

 

"No",205,"of",595,"bonds"

"atom No",8,"----","atom No",14

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",0,1,0,

"The bond length =",.7071068

 

"No",206,"of",595,"bonds"

"atom No",8,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",1,0,0,

"The bond length =",.7071068

 

"No",207,"of",595,"bonds"

"atom No",13,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",.5,.5,1,

"The bond length =",.7071068

 

"No",208,"of",595,"bonds"

"atom No",3,"----","atom No",12

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",.5,.5,.5,

"The bond length =",.7071068

 

"No",209,"of",595,"bonds"

"atom No",32,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,1,"  ",1,.5,1,

"The bond length =",.7071068

 

"No",210,"of",595,"bonds"

"atom No",32,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,1,"  ",1,1,.5,

"The bond length =",.7071068

 

"No",211,"of",595,"bonds"

"atom No",5,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",1,0,.5,

"The bond length =",.7071068

 

"No",212,"of",595,"bonds"

"atom No",33,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

1,.5,1,"  ",1,1,.5,

"The bond length =",.7071068

 

"No",213,"of",595,"bonds"

"atom No",14,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",.5,1,.5,

"The bond length =",.7071068

 

"No",214,"of",595,"bonds"

"atom No",5,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",1,.5,0,

"The bond length =",.7071068

 

"No",215,"of",595,"bonds"

"atom No",16,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",1,1,.5,

"The bond length =",.8291562

 

"No",216,"of",595,"bonds"

"atom No",16,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",1,1,1,

"The bond length =",.8291562

 

"No",217,"of",595,"bonds"

"atom No",5,"----","atom No",9

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.25,.25,.75,

"The bond length =",.8291562

 

"No",218,"of",595,"bonds"

"atom No",17,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",0,.5,1,

"The bond length =",.8291562

 

"No",219,"of",595,"bonds"

"atom No",10,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",0,.5,1,

"The bond length =",.8291562

 

"No",220,"of",595,"bonds"

"atom No",7,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",221,"of",595,"bonds"

"atom No",17,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",1,.5,0,

"The bond length =",.8291562

 

"No",222,"of",595,"bonds"

"atom No",5,"----","atom No",10

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.25,.75,.25,

"The bond length =",.8291562

 

"No",223,"of",595,"bonds"

"atom No",17,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",.5,1,.5,

"The bond length =",.8291562

 

"No",224,"of",595,"bonds"

"atom No",10,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",1,.5,0,

"The bond length =",.8291562

 

"No",225,"of",595,"bonds"

"atom No",10,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",.5,.5,1,

"The bond length =",.8291562

 

"No",226,"of",595,"bonds"

"atom No",7,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",227,"of",595,"bonds"

"atom No",17,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",.5,1,1,

"The bond length =",.8291562

 

"No",228,"of",595,"bonds"

"atom No",10,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",1,.5,.5,

"The bond length =",.8291562

 

"No",229,"of",595,"bonds"

"atom No",17,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",1,1,.5,

"The bond length =",.8291562

 

"No",230,"of",595,"bonds"

"atom No",17,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",1,1,1,

"The bond length =",.8291562

 

"No",231,"of",595,"bonds"

"atom No",18,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",0,1,.5,

"The bond length =",.8291562

 

"No",232,"of",595,"bonds"

"atom No",1,"----","atom No",11

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.75,.25,.25,

"The bond length =",.8291562

 

"No",233,"of",595,"bonds"

"atom No",18,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",1,0,.5,

"The bond length =",.8291562

 

"No",234,"of",595,"bonds"

"atom No",10,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",0,1,1,

"The bond length =",.8291562

 

"No",235,"of",595,"bonds"

"atom No",18,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",.5,.5,1,

"The bond length =",.8291562

 

"No",236,"of",595,"bonds"

"atom No",10,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",1,1,0,

"The bond length =",.8291562

 

"No",237,"of",595,"bonds"

"atom No",10,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",.5,1,1,

"The bond length =",.8291562

 

"No",238,"of",595,"bonds"

"atom No",10,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",1,1,.5,

"The bond length =",.8291562

 

"No",239,"of",595,"bonds"

"atom No",3,"----","atom No",10

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.25,.75,.25,

"The bond length =",.8291562

 

"No",240,"of",595,"bonds"

"atom No",18,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",.5,1,1,

"The bond length =",.8291562

 

"No",241,"of",595,"bonds"

"atom No",18,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",1,.5,1,

"The bond length =",.8291562

 

"No",242,"of",595,"bonds"

"atom No",3,"----","atom No",11

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.75,.25,.25,

"The bond length =",.8291562

 

"No",243,"of",595,"bonds"

"atom No",18,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",1,1,1,

"The bond length =",.8291562

 

"No",244,"of",595,"bonds"

"atom No",5,"----","atom No",17

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",245,"of",595,"bonds"

"atom No",7,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",246,"of",595,"bonds"

"atom No",11,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",.5,0,1,

"The bond length =",.8291562

 

"No",247,"of",595,"bonds"

"atom No",19,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,1,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",248,"of",595,"bonds"

"atom No",11,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",.5,1,0,

"The bond length =",.8291562

 

"No",249,"of",595,"bonds"

"atom No",5,"----","atom No",18

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",250,"of",595,"bonds"

"atom No",8,"----","atom No",9

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.25,.25,.75,

"The bond length =",.8291562

 

"No",251,"of",595,"bonds"

"atom No",11,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",.5,.5,1,

"The bond length =",.8291562

 

"No",252,"of",595,"bonds"

"atom No",20,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

0,1,.5,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",253,"of",595,"bonds"

"atom No",11,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",.5,1,.5,

"The bond length =",.8291562

 

"No",254,"of",595,"bonds"

"atom No",1,"----","atom No",9

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.25,.25,.75,

"The bond length =",.8291562

 

"No",255,"of",595,"bonds"

"atom No",2,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",0,.5,1,

"The bond length =",.8291562

 

"No",256,"of",595,"bonds"

"atom No",11,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",1,0,1,

"The bond length =",.8291562

 

"No",257,"of",595,"bonds"

"atom No",21,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,1,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",258,"of",595,"bonds"

"atom No",11,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",1,1,0,

"The bond length =",.8291562

 

"No",259,"of",595,"bonds"

"atom No",11,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",1,.5,1,

"The bond length =",.8291562

 

"No",260,"of",595,"bonds"

"atom No",11,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",1,1,.5,

"The bond length =",.8291562

 

"No",261,"of",595,"bonds"

"atom No",3,"----","atom No",16

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",262,"of",595,"bonds"

"atom No",22,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

.5,1,0,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",263,"of",595,"bonds"

"atom No",3,"----","atom No",17

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",264,"of",595,"bonds"

"atom No",2,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",0,1,.5,

"The bond length =",.8291562

 

"No",265,"of",595,"bonds"

"atom No",8,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",266,"of",595,"bonds"

"atom No",8,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",267,"of",595,"bonds"

"atom No",23,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

1,0,.5,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",268,"of",595,"bonds"

"atom No",2,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",.5,0,1,

"The bond length =",.8291562

 

"No",269,"of",595,"bonds"

"atom No",6,"----","atom No",11

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.75,.25,.25,

"The bond length =",.8291562

 

"No",270,"of",595,"bonds"

"atom No",2,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",.5,1,0,

"The bond length =",.8291562

 

"No",271,"of",595,"bonds"

"atom No",24,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

1,.5,0,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",272,"of",595,"bonds"

"atom No",2,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",1,0,.5,

"The bond length =",.8291562

 

"No",273,"of",595,"bonds"

"atom No",2,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",1,.5,0,

"The bond length =",.8291562

 

"No",274,"of",595,"bonds"

"atom No",8,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

.5,.5,0,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",275,"of",595,"bonds"

"atom No",4,"----","atom No",9

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.25,.25,.75,

"The bond length =",.8291562

 

"No",276,"of",595,"bonds"

"atom No",6,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",277,"of",595,"bonds"

"atom No",6,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",278,"of",595,"bonds"

"atom No",2,"----","atom No",25

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",.5,.5,1,

"The bond length =",.8291562

 

"No",279,"of",595,"bonds"

"atom No",4,"----","atom No",11

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.75,.25,.25,

"The bond length =",.8291562

 

"No",280,"of",595,"bonds"

"atom No",13,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

0,0,1,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",281,"of",595,"bonds"

"atom No",13,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

0,0,1,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",282,"of",595,"bonds"

"atom No",2,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",.5,1,.5,

"The bond length =",.8291562

 

"No",283,"of",595,"bonds"

"atom No",2,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",1,.5,.5,

"The bond length =",.8291562

 

"No",284,"of",595,"bonds"

"atom No",6,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

0,.5,.5,"  ",.75,.75,.75,

"The bond length =",.8291562

 

"No",285,"of",595,"bonds"

"atom No",14,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

0,1,0,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",286,"of",595,"bonds"

"atom No",14,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

0,1,0,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",287,"of",595,"bonds"

"atom No",9,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",0,1,.5,

"The bond length =",.8291562

 

"No",288,"of",595,"bonds"

"atom No",4,"----","atom No",16

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.25,.75,.75,

"The bond length =",.8291562

 

"No",289,"of",595,"bonds"

"atom No",9,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",1,0,.5,

"The bond length =",.8291562

 

"No",290,"of",595,"bonds"

"atom No",15,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

1,0,0,"  ",.75,.25,.75,

"The bond length =",.8291562

 

"No",291,"of",595,"bonds"

"atom No",15,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

1,0,0,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",292,"of",595,"bonds"

"atom No",4,"----","atom No",18

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.75,.75,.25,

"The bond length =",.8291562

 

"No",293,"of",595,"bonds"

"atom No",9,"----","atom No",26

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",.5,1,.5,

"The bond length =",.8291562

 

"No",294,"of",595,"bonds"

"atom No",9,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",1,.5,.5,

"The bond length =",.8291562

 

"No",295,"of",595,"bonds"

"atom No",28,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.75,"  ",0,1,1,

"The bond length =",.8291562

 

"No",296,"of",595,"bonds"

"atom No",28,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.75,"  ",1,0,1,

"The bond length =",.8291562

 

"No",297,"of",595,"bonds"

"atom No",28,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.75,"  ",1,1,0,

"The bond length =",.8291562

 

"No",298,"of",595,"bonds"

"atom No",2,"----","atom No",13

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",0,0,1,

"The bond length =",.8291562

 

"No",299,"of",595,"bonds"

"atom No",9,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",0,1,1,

"The bond length =",.8291562

 

"No",300,"of",595,"bonds"

"atom No",9,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",1,0,1,

"The bond length =",.8291562

 

"No",301,"of",595,"bonds"

"atom No",9,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",.5,1,1,

"The bond length =",.8291562

 

"No",302,"of",595,"bonds"

"atom No",16,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",.5,0,1,

"The bond length =",.8291562

 

"No",303,"of",595,"bonds"

"atom No",16,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",.5,1,0,

"The bond length =",.8291562

 

"No",304,"of",595,"bonds"

"atom No",9,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",1,.5,1,

"The bond length =",.8291562

 

"No",305,"of",595,"bonds"

"atom No",7,"----","atom No",10

"Al at 4a Positions-----Fe at 8c Positions"

.5,0,.5,"  ",.25,.75,.25,

"The bond length =",.8291562

 

"No",306,"of",595,"bonds"

"atom No",16,"----","atom No",27

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",1,.5,.5,

"The bond length =",.8291562

 

"No",307,"of",595,"bonds"

"atom No",2,"----","atom No",14

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",0,1,0,

"The bond length =",.8291562

 

"No",308,"of",595,"bonds"

"atom No",2,"----","atom No",15

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",1,0,0,

"The bond length =",.8291562

 

"No",309,"of",595,"bonds"

"atom No",1,"----","atom No",10

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.25,.75,.25,

"The bond length =",.8291562

 

"No",310,"of",595,"bonds"

"atom No",16,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",1,.5,1,

"The bond length =",.8291562

 

"No",311,"of",595,"bonds"

"atom No",8,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",1,1,.5,

"The bond length =",.8660254

 

"No",312,"of",595,"bonds"

"atom No",20,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",.5,.5,1,

"The bond length =",.8660254

 

"No",313,"of",595,"bonds"

"atom No",1,"----","atom No",12

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",.5,.5,.5,

"The bond length =",.8660254

 

"No",314,"of",595,"bonds"

"atom No",25,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,1,"  ",1,1,.5,

"The bond length =",.8660254

 

"No",315,"of",595,"bonds"

"atom No",2,"----","atom No",28

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.25,"  ",.75,.75,.75,

"The bond length =",.8660254

 

"No",316,"of",595,"bonds"

"atom No",11,"----","atom No",16

"Fe at 8c Positions-----Fe at 8c Positions"

.75,.25,.25,"  ",.25,.75,.75,

"The bond length =",.8660254

 

"No",317,"of",595,"bonds"

"atom No",5,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",1,.5,.5,

"The bond length =",.8660254

 

"No",318,"of",595,"bonds"

"atom No",4,"----","atom No",7

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",.5,0,.5,

"The bond length =",.8660254

 

"No",319,"of",595,"bonds"

"atom No",7,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",0,.5,1,

"The bond length =",.8660254

 

"No",320,"of",595,"bonds"

"atom No",21,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",1,.5,.5,

"The bond length =",.8660254

 

"No",321,"of",595,"bonds"

"atom No",26,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

.5,1,.5,"  ",1,.5,1,

"The bond length =",.8660254

 

"No",322,"of",595,"bonds"

"atom No",10,"----","atom No",17

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.75,.25,"  ",.75,.25,.75,

"The bond length =",.8660254

 

"No",323,"of",595,"bonds"

"atom No",6,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",.5,1,1,

"The bond length =",.8660254

 

"No",324,"of",595,"bonds"

"atom No",9,"----","atom No",18

"Fe at 8c Positions-----Fe at 8c Positions"

.25,.25,.75,"  ",.75,.75,.25,

"The bond length =",.8660254

 

"No",325,"of",595,"bonds"

"atom No",4,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",.5,1,.5,

"The bond length =",.8660254

 

"No",326,"of",595,"bonds"

"atom No",12,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",0,1,1,

"The bond length =",.8660254

 

"No",327,"of",595,"bonds"

"atom No",27,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

1,.5,.5,"  ",.5,1,1,

"The bond length =",.8660254

 

"No",328,"of",595,"bonds"

"atom No",22,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",1,.5,.5,

"The bond length =",.8660254

 

"No",329,"of",595,"bonds"

"atom No",12,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",1,0,1,

"The bond length =",.8660254

 

"No",330,"of",595,"bonds"

"atom No",12,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",1,1,0,

"The bond length =",.8660254

 

"No",331,"of",595,"bonds"

"atom No",7,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",1,.5,0,

"The bond length =",.8660254

 

"No",332,"of",595,"bonds"

"atom No",8,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",0,1,.5,

"The bond length =",.8660254

 

"No",333,"of",595,"bonds"

"atom No",23,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",.5,.5,1,

"The bond length =",.8660254

 

"No",334,"of",595,"bonds"

"atom No",5,"----","atom No",6

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",0,.5,.5,

"The bond length =",.8660254

 

"No",335,"of",595,"bonds"

"atom No",12,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",1,1,1,

"The bond length =",.8660254

 

"No",336,"of",595,"bonds"

"atom No",8,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",1,0,.5,

"The bond length =",.8660254

 

"No",337,"of",595,"bonds"

"atom No",3,"----","atom No",8

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",.5,.5,0,

"The bond length =",.8660254

 

"No",338,"of",595,"bonds"

"atom No",24,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",.5,1,.5,

"The bond length =",.8660254

 

"No",339,"of",595,"bonds"

"atom No",3,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",.5,.5,1,

"The bond length =",.8660254

 

"No",340,"of",595,"bonds"

"atom No",6,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",.5,0,1,

"The bond length =",.8660254

 

"No",341,"of",595,"bonds"

"atom No",12,"----","atom No",13

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",0,0,1,

"The bond length =",.8660254

 

"No",342,"of",595,"bonds"

"atom No",12,"----","atom No",14

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",0,1,0,

"The bond length =",.8660254

 

"No",343,"of",595,"bonds"

"atom No",19,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",.5,1,.5,

"The bond length =",.8660254

 

"No",344,"of",595,"bonds"

"atom No",12,"----","atom No",15

"Fe at 4b Positions-----Al at 4a Positions"

.5,.5,.5,"  ",1,0,0,

"The bond length =",.8660254

 

"No",345,"of",595,"bonds"

"atom No",7,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",1,.5,1,

"The bond length =",.8660254

 

"No",346,"of",595,"bonds"

"atom No",6,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",.5,1,0,

"The bond length =",.8660254

 

"No",347,"of",595,"bonds"

"atom No",15,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",1,1,0,

"The bond length =",1

 

"No",348,"of",595,"bonds"

"atom No",23,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

1,0,.5,"  ",1,1,.5,

"The bond length =",1

 

"No",349,"of",595,"bonds"

"atom No",5,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",.5,0,1,

"The bond length =",1

 

"No",350,"of",595,"bonds"

"atom No",20,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",1,1,.5,

"The bond length =",1

 

"No",351,"of",595,"bonds"

"atom No",5,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",.5,1,0,

"The bond length =",1

 

"No",352,"of",595,"bonds"

"atom No",13,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",0,1,1,

"The bond length =",1

 

"No",353,"of",595,"bonds"

"atom No",24,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

1,.5,0,"  ",1,.5,1,

"The bond length =",1

 

"No",354,"of",595,"bonds"

"atom No",13,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",1,0,1,

"The bond length =",1

 

"No",355,"of",595,"bonds"

"atom No",3,"----","atom No",20

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",0,1,.5,

"The bond length =",1

 

"No",356,"of",595,"bonds"

"atom No",7,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",.5,1,.5,

"The bond length =",1

 

"No",357,"of",595,"bonds"

"atom No",21,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",.5,1,1,

"The bond length =",1

 

"No",358,"of",595,"bonds"

"atom No",1,"----","atom No",13

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",0,0,1,

"The bond length =",1

 

"No",359,"of",595,"bonds"

"atom No",6,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",1,.5,.5,

"The bond length =",1

 

"No",360,"of",595,"bonds"

"atom No",4,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",1,.5,0,

"The bond length =",1

 

"No",361,"of",595,"bonds"

"atom No",14,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",0,1,1,

"The bond length =",1

 

"No",362,"of",595,"bonds"

"atom No",14,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",1,1,0,

"The bond length =",1

 

"No",363,"of",595,"bonds"

"atom No",29,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

0,1,1,"  ",1,1,1,

"The bond length =",1

 

"No",364,"of",595,"bonds"

"atom No",3,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",1,0,.5,

"The bond length =",1

 

"No",365,"of",595,"bonds"

"atom No",30,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

1,0,1,"  ",1,1,1,

"The bond length =",1

 

"No",366,"of",595,"bonds"

"atom No",22,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,0,"  ",.5,1,1,

"The bond length =",1

 

"No",367,"of",595,"bonds"

"atom No",31,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

1,1,0,"  ",1,1,1,

"The bond length =",1

 

"No",368,"of",595,"bonds"

"atom No",1,"----","atom No",14

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",0,1,0,

"The bond length =",1

 

"No",369,"of",595,"bonds"

"atom No",19,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",1,.5,1,

"The bond length =",1

 

"No",370,"of",595,"bonds"

"atom No",1,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",1,0,0,

"The bond length =",1

 

"No",371,"of",595,"bonds"

"atom No",8,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",.5,.5,1,

"The bond length =",1

 

"No",372,"of",595,"bonds"

"atom No",4,"----","atom No",19

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",0,.5,1,

"The bond length =",1

 

"No",373,"of",595,"bonds"

"atom No",15,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",1,0,1,

"The bond length =",1

 

"No",374,"of",595,"bonds"

"atom No",15,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

1,0,0,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",375,"of",595,"bonds"

"atom No",10,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",1,1,1,

"The bond length =",1.089725

 

"No",376,"of",595,"bonds"

"atom No",4,"----","atom No",17

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.75,.25,.75,

"The bond length =",1.089725

 

"No",377,"of",595,"bonds"

"atom No",11,"----","atom No",13

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",0,0,1,

"The bond length =",1.089725

 

"No",378,"of",595,"bonds"

"atom No",18,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",0,1,1,

"The bond length =",1.089725

 

"No",379,"of",595,"bonds"

"atom No",18,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.75,.75,.25,"  ",1,0,1,

"The bond length =",1.089725

 

"No",380,"of",595,"bonds"

"atom No",11,"----","atom No",14

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",0,1,0,

"The bond length =",1.089725

 

"No",381,"of",595,"bonds"

"atom No",9,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",1,1,.5,

"The bond length =",1.089725

 

"No",382,"of",595,"bonds"

"atom No",9,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",1,1,1,

"The bond length =",1.089725

 

"No",383,"of",595,"bonds"

"atom No",9,"----","atom No",14

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",0,1,0,

"The bond length =",1.089725

 

"No",384,"of",595,"bonds"

"atom No",9,"----","atom No",15

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",1,0,0,

"The bond length =",1.089725

 

"No",385,"of",595,"bonds"

"atom No",16,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",1,0,.5,

"The bond length =",1.089725

 

"No",386,"of",595,"bonds"

"atom No",16,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.75,"  ",1,.5,0,

"The bond length =",1.089725

 

"No",387,"of",595,"bonds"

"atom No",11,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",0,.5,1,

"The bond length =",1.089725

 

"No",388,"of",595,"bonds"

"atom No",11,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",0,1,.5,

"The bond length =",1.089725

 

"No",389,"of",595,"bonds"

"atom No",10,"----","atom No",13

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",0,0,1,

"The bond length =",1.089725

 

"No",390,"of",595,"bonds"

"atom No",3,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",391,"of",595,"bonds"

"atom No",10,"----","atom No",15

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",1,0,0,

"The bond length =",1.089725

 

"No",392,"of",595,"bonds"

"atom No",16,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",1,0,1,

"The bond length =",1.089725

 

"No",393,"of",595,"bonds"

"atom No",16,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.75,"  ",1,1,0,

"The bond length =",1.089725

 

"No",394,"of",595,"bonds"

"atom No",2,"----","atom No",34

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",1,1,.5,

"The bond length =",1.089725

 

"No",395,"of",595,"bonds"

"atom No",5,"----","atom No",16

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.25,.75,.75,

"The bond length =",1.089725

 

"No",396,"of",595,"bonds"

"atom No",1,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.75,.75,.25,

"The bond length =",1.089725

 

"No",397,"of",595,"bonds"

"atom No",1,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.25,.75,.75,

"The bond length =",1.089725

 

"No",398,"of",595,"bonds"

"atom No",1,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.75,.25,.75,

"The bond length =",1.089725

 

"No",399,"of",595,"bonds"

"atom No",10,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",.5,0,1,

"The bond length =",1.089725

 

"No",400,"of",595,"bonds"

"atom No",17,"----","atom No",20

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",0,1,.5,

"The bond length =",1.089725

 

"No",401,"of",595,"bonds"

"atom No",13,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

0,0,1,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",402,"of",595,"bonds"

"atom No",17,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.75,"  ",.5,1,0,

"The bond length =",1.089725

 

"No",403,"of",595,"bonds"

"atom No",9,"----","atom No",22

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",.5,1,0,

"The bond length =",1.089725

 

"No",404,"of",595,"bonds"

"atom No",11,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.25,.25,"  ",.5,1,1,

"The bond length =",1.089725

 

"No",405,"of",595,"bonds"

"atom No",10,"----","atom No",23

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",1,0,.5,

"The bond length =",1.089725

 

"No",406,"of",595,"bonds"

"atom No",3,"----","atom No",18

"Fe at 4b Positions-----Fe at 8c Positions"

0,0,.5,"  ",.75,.75,.25,

"The bond length =",1.089725

 

"No",407,"of",595,"bonds"

"atom No",11,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",1,1,1,

"The bond length =",1.089725

 

"No",408,"of",595,"bonds"

"atom No",9,"----","atom No",24

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.75,"  ",1,.5,0,

"The bond length =",1.089725

 

"No",409,"of",595,"bonds"

"atom No",17,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",0,1,1,

"The bond length =",1.089725

 

"No",410,"of",595,"bonds"

"atom No",4,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

0,.5,0,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",411,"of",595,"bonds"

"atom No",17,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.75,"  ",1,1,0,

"The bond length =",1.089725

 

"No",412,"of",595,"bonds"

"atom No",14,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

0,1,0,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",413,"of",595,"bonds"

"atom No",2,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",0,1,1,

"The bond length =",1.089725

 

"No",414,"of",595,"bonds"

"atom No",2,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",1,0,1,

"The bond length =",1.089725

 

"No",415,"of",595,"bonds"

"atom No",5,"----","atom No",28

"Fe at 4b Positions-----Fe at 8c Positions"

.5,0,0,"  ",.75,.75,.75,

"The bond length =",1.089725

 

"No",416,"of",595,"bonds"

"atom No",18,"----","atom No",19

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",0,.5,1,

"The bond length =",1.089725

 

"No",417,"of",595,"bonds"

"atom No",2,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",1,1,0,

"The bond length =",1.089725

 

"No",418,"of",595,"bonds"

"atom No",18,"----","atom No",21

"Fe at 8c Positions-----Fe at 4b Positions"

.75,.75,.25,"  ",.5,0,1,

"The bond length =",1.089725

 

"No",419,"of",595,"bonds"

"atom No",2,"----","atom No",32

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",.5,1,1,

"The bond length =",1.089725

 

"No",420,"of",595,"bonds"

"atom No",10,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.75,.25,"  ",1,.5,1,

"The bond length =",1.089725

 

"No",421,"of",595,"bonds"

"atom No",2,"----","atom No",33

"Fe at 8c Positions-----Fe at 4b Positions"

.25,.25,.25,"  ",1,.5,1,

"The bond length =",1.089725

 

"No",422,"of",595,"bonds"

"atom No",5,"----","atom No",13

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",0,0,1,

"The bond length =",1.118034

 

"No",423,"of",595,"bonds"

"atom No",7,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",.5,1,0,

"The bond length =",1.118034

 

"No",424,"of",595,"bonds"

"atom No",14,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",425,"of",595,"bonds"

"atom No",22,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",1,1,1,

"The bond length =",1.118034

 

"No",426,"of",595,"bonds"

"atom No",14,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",427,"of",595,"bonds"

"atom No",5,"----","atom No",14

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",0,1,0,

"The bond length =",1.118034

 

"No",428,"of",595,"bonds"

"atom No",23,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",.5,1,.5,

"The bond length =",1.118034

 

"No",429,"of",595,"bonds"

"atom No",3,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",1,0,1,

"The bond length =",1.118034

 

"No",430,"of",595,"bonds"

"atom No",15,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",.5,0,1,

"The bond length =",1.118034

 

"No",431,"of",595,"bonds"

"atom No",15,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",.5,1,0,

"The bond length =",1.118034

 

"No",432,"of",595,"bonds"

"atom No",23,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",1,1,0,

"The bond length =",1.118034

 

"No",433,"of",595,"bonds"

"atom No",1,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",0,1,.5,

"The bond length =",1.118034

 

"No",434,"of",595,"bonds"

"atom No",1,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",.5,0,1,

"The bond length =",1.118034

 

"No",435,"of",595,"bonds"

"atom No",23,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",1,1,1,

"The bond length =",1.118034

 

"No",436,"of",595,"bonds"

"atom No",24,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",.5,.5,1,

"The bond length =",1.118034

 

"No",437,"of",595,"bonds"

"atom No",1,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",.5,1,0,

"The bond length =",1.118034

 

"No",438,"of",595,"bonds"

"atom No",1,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",1,0,.5,

"The bond length =",1.118034

 

"No",439,"of",595,"bonds"

"atom No",6,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",1,0,.5,

"The bond length =",1.118034

 

"No",440,"of",595,"bonds"

"atom No",24,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",1,0,1,

"The bond length =",1.118034

 

"No",441,"of",595,"bonds"

"atom No",7,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",442,"of",595,"bonds"

"atom No",15,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",443,"of",595,"bonds"

"atom No",15,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",444,"of",595,"bonds"

"atom No",24,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",1,1,1,

"The bond length =",1.118034

 

"No",445,"of",595,"bonds"

"atom No",6,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",1,.5,0,

"The bond length =",1.118034

 

"No",446,"of",595,"bonds"

"atom No",7,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",447,"of",595,"bonds"

"atom No",4,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",.5,.5,1,

"The bond length =",1.118034

 

"No",448,"of",595,"bonds"

"atom No",1,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",1,.5,0,

"The bond length =",1.118034

 

"No",449,"of",595,"bonds"

"atom No",4,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",1,.5,.5,

"The bond length =",1.118034

 

"No",450,"of",595,"bonds"

"atom No",5,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",.5,.5,1,

"The bond length =",1.118034

 

"No",451,"of",595,"bonds"

"atom No",5,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",.5,1,.5,

"The bond length =",1.118034

 

"No",452,"of",595,"bonds"

"atom No",3,"----","atom No",14

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",0,1,0,

"The bond length =",1.118034

 

"No",453,"of",595,"bonds"

"atom No",6,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",454,"of",595,"bonds"

"atom No",6,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

0,.5,.5,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",455,"of",595,"bonds"

"atom No",19,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",1,.5,.5,

"The bond length =",1.118034

 

"No",456,"of",595,"bonds"

"atom No",4,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",0,1,1,

"The bond length =",1.118034

 

"No",457,"of",595,"bonds"

"atom No",8,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",0,.5,1,

"The bond length =",1.118034

 

"No",458,"of",595,"bonds"

"atom No",19,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",1,0,1,

"The bond length =",1.118034

 

"No",459,"of",595,"bonds"

"atom No",5,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",1,0,1,

"The bond length =",1.118034

 

"No",460,"of",595,"bonds"

"atom No",8,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",.5,0,1,

"The bond length =",1.118034

 

"No",461,"of",595,"bonds"

"atom No",19,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",1,1,1,

"The bond length =",1.118034

 

"No",462,"of",595,"bonds"

"atom No",5,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",1,1,0,

"The bond length =",1.118034

 

"No",463,"of",595,"bonds"

"atom No",13,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",0,1,.5,

"The bond length =",1.118034

 

"No",464,"of",595,"bonds"

"atom No",4,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",1,1,0,

"The bond length =",1.118034

 

"No",465,"of",595,"bonds"

"atom No",20,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",1,.5,.5,

"The bond length =",1.118034

 

"No",466,"of",595,"bonds"

"atom No",13,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",1,0,.5,

"The bond length =",1.118034

 

"No",467,"of",595,"bonds"

"atom No",3,"----","atom No",15

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",1,0,0,

"The bond length =",1.118034

 

"No",468,"of",595,"bonds"

"atom No",20,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",1,1,0,

"The bond length =",1.118034

 

"No",469,"of",595,"bonds"

"atom No",3,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",.5,1,.5,

"The bond length =",1.118034

 

"No",470,"of",595,"bonds"

"atom No",4,"----","atom No",13

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",0,0,1,

"The bond length =",1.118034

 

"No",471,"of",595,"bonds"

"atom No",20,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",1,1,1,

"The bond length =",1.118034

 

"No",472,"of",595,"bonds"

"atom No",3,"----","atom No",27

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",1,.5,.5,

"The bond length =",1.118034

 

"No",473,"of",595,"bonds"

"atom No",13,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",474,"of",595,"bonds"

"atom No",21,"----","atom No",26

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",.5,1,.5,

"The bond length =",1.118034

 

"No",475,"of",595,"bonds"

"atom No",13,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",476,"of",595,"bonds"

"atom No",4,"----","atom No",15

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",1,0,0,

"The bond length =",1.118034

 

"No",477,"of",595,"bonds"

"atom No",29,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

0,1,1,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",478,"of",595,"bonds"

"atom No",29,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

0,1,1,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",479,"of",595,"bonds"

"atom No",21,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",0,1,1,

"The bond length =",1.118034

 

"No",480,"of",595,"bonds"

"atom No",30,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

1,0,1,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",481,"of",595,"bonds"

"atom No",1,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",0,.5,1,

"The bond length =",1.118034

 

"No",482,"of",595,"bonds"

"atom No",30,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

1,0,1,"  ",1,1,.5,

"The bond length =",1.118034

 

"No",483,"of",595,"bonds"

"atom No",14,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",0,.5,1,

"The bond length =",1.118034

 

"No",484,"of",595,"bonds"

"atom No",31,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

1,1,0,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",485,"of",595,"bonds"

"atom No",31,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

1,1,0,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",486,"of",595,"bonds"

"atom No",8,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",.5,1,1,

"The bond length =",1.118034

 

"No",487,"of",595,"bonds"

"atom No",21,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",1,1,1,

"The bond length =",1.118034

 

"No",488,"of",595,"bonds"

"atom No",8,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

.5,.5,0,"  ",1,.5,1,

"The bond length =",1.118034

 

"No",489,"of",595,"bonds"

"atom No",22,"----","atom No",25

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",.5,.5,1,

"The bond length =",1.118034

 

"No",490,"of",595,"bonds"

"atom No",14,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",1,.5,0,

"The bond length =",1.118034

 

"No",491,"of",595,"bonds"

"atom No",3,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",0,1,1,

"The bond length =",1.118034

 

"No",492,"of",595,"bonds"

"atom No",7,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

.5,0,.5,"  ",0,1,.5,

"The bond length =",1.118034

 

"No",493,"of",595,"bonds"

"atom No",22,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",0,1,1,

"The bond length =",1.118034

 

"No",494,"of",595,"bonds"

"atom No",5,"----","atom No",20

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",0,1,.5,

"The bond length =",1.224745

 

"No",495,"of",595,"bonds"

"atom No",25,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,1,"  ",1,1,0,

"The bond length =",1.224745

 

"No",496,"of",595,"bonds"

"atom No",14,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",1,.5,.5,

"The bond length =",1.224745

 

"No",497,"of",595,"bonds"

"atom No",3,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",1,.5,0,

"The bond length =",1.224745

 

"No",498,"of",595,"bonds"

"atom No",1,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",.5,.5,1,

"The bond length =",1.224745

 

"No",499,"of",595,"bonds"

"atom No",3,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",.5,1,1,

"The bond length =",1.224745

 

"No",500,"of",595,"bonds"

"atom No",3,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",1,.5,1,

"The bond length =",1.224745

 

"No",501,"of",595,"bonds"

"atom No",21,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",1,1,.5,

"The bond length =",1.224745

 

"No",502,"of",595,"bonds"

"atom No",6,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",1,0,1,

"The bond length =",1.224745

 

"No",503,"of",595,"bonds"

"atom No",26,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

.5,1,.5,"  ",1,0,1,

"The bond length =",1.224745

 

"No",504,"of",595,"bonds"

"atom No",22,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,0,"  ",1,0,.5,

"The bond length =",1.224745

 

"No",505,"of",595,"bonds"

"atom No",6,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",1,1,0,

"The bond length =",1.224745

 

"No",506,"of",595,"bonds"

"atom No",1,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",.5,1,.5,

"The bond length =",1.224745

 

"No",507,"of",595,"bonds"

"atom No",6,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",1,0,0,

"The bond length =",1.224745

 

"No",508,"of",595,"bonds"

"atom No",3,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",.5,1,0,

"The bond length =",1.224745

 

"No",509,"of",595,"bonds"

"atom No",19,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",.5,1,0,

"The bond length =",1.224745

 

"No",510,"of",595,"bonds"

"atom No",27,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

1,.5,.5,"  ",0,1,1,

"The bond length =",1.224745

 

"No",511,"of",595,"bonds"

"atom No",19,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",1,0,.5,

"The bond length =",1.224745

 

"No",512,"of",595,"bonds"

"atom No",6,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

0,.5,.5,"  ",1,1,1,

"The bond length =",1.224745

 

"No",513,"of",595,"bonds"

"atom No",4,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",.5,0,1,

"The bond length =",1.224745

 

"No",514,"of",595,"bonds"

"atom No",22,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

.5,1,0,"  ",1,.5,1,

"The bond length =",1.224745

 

"No",515,"of",595,"bonds"

"atom No",15,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",.5,.5,1,

"The bond length =",1.224745

 

"No",516,"of",595,"bonds"

"atom No",15,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",.5,1,.5,

"The bond length =",1.224745

 

"No",517,"of",595,"bonds"

"atom No",7,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",0,1,1,

"The bond length =",1.224745

 

"No",518,"of",595,"bonds"

"atom No",4,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",.5,1,1,

"The bond length =",1.224745

 

"No",519,"of",595,"bonds"

"atom No",7,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",1,1,0,

"The bond length =",1.224745

 

"No",520,"of",595,"bonds"

"atom No",8,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",0,1,1,

"The bond length =",1.224745

 

"No",521,"of",595,"bonds"

"atom No",19,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",1,1,.5,

"The bond length =",1.224745

 

"No",522,"of",595,"bonds"

"atom No",13,"----","atom No",26

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",.5,1,.5,

"The bond length =",1.224745

 

"No",523,"of",595,"bonds"

"atom No",20,"----","atom No",21

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",.5,0,1,

"The bond length =",1.224745

 

"No",524,"of",595,"bonds"

"atom No",23,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

1,0,.5,"  ",.5,1,1,

"The bond length =",1.224745

 

"No",525,"of",595,"bonds"

"atom No",13,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",1,.5,.5,

"The bond length =",1.224745

 

"No",526,"of",595,"bonds"

"atom No",20,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",1,.5,0,

"The bond length =",1.224745

 

"No",527,"of",595,"bonds"

"atom No",8,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",1,0,1,

"The bond length =",1.224745

 

"No",528,"of",595,"bonds"

"atom No",4,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",1,1,.5,

"The bond length =",1.224745

 

"No",529,"of",595,"bonds"

"atom No",1,"----","atom No",27

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",1,.5,.5,

"The bond length =",1.224745

 

"No",530,"of",595,"bonds"

"atom No",5,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",1,.5,1,

"The bond length =",1.224745

 

"No",531,"of",595,"bonds"

"atom No",7,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",1,1,1,

"The bond length =",1.224745

 

"No",532,"of",595,"bonds"

"atom No",8,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",1,1,1,

"The bond length =",1.224745

 

"No",533,"of",595,"bonds"

"atom No",5,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",1,1,.5,

"The bond length =",1.224745

 

"No",534,"of",595,"bonds"

"atom No",24,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

1,.5,0,"  ",.5,1,1,

"The bond length =",1.224745

 

"No",535,"of",595,"bonds"

"atom No",20,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",1,.5,1,

"The bond length =",1.224745

 

"No",536,"of",595,"bonds"

"atom No",7,"----","atom No",14

"Al at 4a Positions-----Al at 4a Positions"

.5,0,.5,"  ",0,1,0,

"The bond length =",1.224745

 

"No",537,"of",595,"bonds"

"atom No",4,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",1,0,.5,

"The bond length =",1.224745

 

"No",538,"of",595,"bonds"

"atom No",5,"----","atom No",19

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",0,.5,1,

"The bond length =",1.224745

 

"No",539,"of",595,"bonds"

"atom No",21,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",1,.5,0,

"The bond length =",1.224745

 

"No",540,"of",595,"bonds"

"atom No",8,"----","atom No",13

"Al at 4a Positions-----Al at 4a Positions"

.5,.5,0,"  ",0,0,1,

"The bond length =",1.224745

 

"No",541,"of",595,"bonds"

"atom No",14,"----","atom No",25

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",.5,.5,1,

"The bond length =",1.224745

 

"No",542,"of",595,"bonds"

"atom No",14,"----","atom No",17

"Al at 4a Positions-----Fe at 8c Positions"

0,1,0,"  ",.75,.25,.75,

"The bond length =",1.299038

 

"No",543,"of",595,"bonds"

"atom No",9,"----","atom No",31

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.75,"  ",1,1,0,

"The bond length =",1.299038

 

"No",544,"of",595,"bonds"

"atom No",2,"----","atom No",35

"Fe at 8c Positions-----Al at 4a Positions"

.25,.25,.25,"  ",1,1,1,

"The bond length =",1.299038

 

"No",545,"of",595,"bonds"

"atom No",11,"----","atom No",29

"Fe at 8c Positions-----Al at 4a Positions"

.75,.25,.25,"  ",0,1,1,

"The bond length =",1.299038

 

"No",546,"of",595,"bonds"

"atom No",1,"----","atom No",28

"Al at 4a Positions-----Fe at 8c Positions"

0,0,0,"  ",.75,.75,.75,

"The bond length =",1.299038

 

"No",547,"of",595,"bonds"

"atom No",13,"----","atom No",18

"Al at 4a Positions-----Fe at 8c Positions"

0,0,1,"  ",.75,.75,.25,

"The bond length =",1.299038

 

"No",548,"of",595,"bonds"

"atom No",10,"----","atom No",30

"Fe at 8c Positions-----Al at 4a Positions"

.25,.75,.25,"  ",1,0,1,

"The bond length =",1.299038

 

"No",549,"of",595,"bonds"

"atom No",15,"----","atom No",16

"Al at 4a Positions-----Fe at 8c Positions"

1,0,0,"  ",.25,.75,.75,

"The bond length =",1.299038

 

"No",550,"of",595,"bonds"

"atom No",15,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",1,1,1,

"The bond length =",1.414214

 

"No",551,"of",595,"bonds"

"atom No",14,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",1,0,0,

"The bond length =",1.414214

 

"No",552,"of",595,"bonds"

"atom No",13,"----","atom No",15

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",1,0,0,

"The bond length =",1.414214

 

"No",553,"of",595,"bonds"

"atom No",30,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

1,0,1,"  ",1,1,0,

"The bond length =",1.414214

 

"No",554,"of",595,"bonds"

"atom No",3,"----","atom No",34

"Fe at 4b Positions-----Fe at 4b Positions"

0,0,.5,"  ",1,1,.5,

"The bond length =",1.414214

 

"No",555,"of",595,"bonds"

"atom No",5,"----","atom No",32

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,0,"  ",.5,1,1,

"The bond length =",1.414214

 

"No",556,"of",595,"bonds"

"atom No",1,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",1,1,0,

"The bond length =",1.414214

 

"No",557,"of",595,"bonds"

"atom No",1,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",0,1,1,

"The bond length =",1.414214

 

"No",558,"of",595,"bonds"

"atom No",14,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",1,1,1,

"The bond length =",1.414214

 

"No",559,"of",595,"bonds"

"atom No",1,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",1,0,1,

"The bond length =",1.414214

 

"No",560,"of",595,"bonds"

"atom No",21,"----","atom No",22

"Fe at 4b Positions-----Fe at 4b Positions"

.5,0,1,"  ",.5,1,0,

"The bond length =",1.414214

 

"No",561,"of",595,"bonds"

"atom No",4,"----","atom No",33

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,0,"  ",1,.5,1,

"The bond length =",1.414214

 

"No",562,"of",595,"bonds"

"atom No",13,"----","atom No",14

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",0,1,0,

"The bond length =",1.414214

 

"No",563,"of",595,"bonds"

"atom No",20,"----","atom No",23

"Fe at 4b Positions-----Fe at 4b Positions"

0,1,.5,"  ",1,0,.5,

"The bond length =",1.414214

 

"No",564,"of",595,"bonds"

"atom No",19,"----","atom No",24

"Fe at 4b Positions-----Fe at 4b Positions"

0,.5,1,"  ",1,.5,0,

"The bond length =",1.414214

 

"No",565,"of",595,"bonds"

"atom No",29,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

0,1,1,"  ",1,0,1,

"The bond length =",1.414214

 

"No",566,"of",595,"bonds"

"atom No",29,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

0,1,1,"  ",1,1,0,

"The bond length =",1.414214

 

"No",567,"of",595,"bonds"

"atom No",13,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",1,1,1,

"The bond length =",1.414214

 

"No",568,"of",595,"bonds"

"atom No",1,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",1,1,.5,

"The bond length =",1.5

 

"No",569,"of",595,"bonds"

"atom No",15,"----","atom No",19

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",0,.5,1,

"The bond length =",1.5

 

"No",570,"of",595,"bonds"

"atom No",15,"----","atom No",20

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",0,1,.5,

"The bond length =",1.5

 

"No",571,"of",595,"bonds"

"atom No",14,"----","atom No",23

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",1,0,.5,

"The bond length =",1.5

 

"No",572,"of",595,"bonds"

"atom No",4,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",1,1,1,

"The bond length =",1.5

 

"No",573,"of",595,"bonds"

"atom No",20,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

0,1,.5,"  ",1,0,1,

"The bond length =",1.5

 

"No",574,"of",595,"bonds"

"atom No",5,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",1,1,1,

"The bond length =",1.5

 

"No",575,"of",595,"bonds"

"atom No",3,"----","atom No",35

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",1,1,1,

"The bond length =",1.5

 

"No",576,"of",595,"bonds"

"atom No",13,"----","atom No",34

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",1,1,.5,

"The bond length =",1.5

 

"No",577,"of",595,"bonds"

"atom No",13,"----","atom No",22

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",.5,1,0,

"The bond length =",1.5

 

"No",578,"of",595,"bonds"

"atom No",24,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

1,.5,0,"  ",0,1,1,

"The bond length =",1.5

 

"No",579,"of",595,"bonds"

"atom No",4,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,0,"  ",1,0,1,

"The bond length =",1.5

 

"No",580,"of",595,"bonds"

"atom No",22,"----","atom No",30

"Fe at 4b Positions-----Al at 4a Positions"

.5,1,0,"  ",1,0,1,

"The bond length =",1.5

 

"No",581,"of",595,"bonds"

"atom No",19,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

0,.5,1,"  ",1,1,0,

"The bond length =",1.5

 

"No",582,"of",595,"bonds"

"atom No",13,"----","atom No",24

"Al at 4a Positions-----Fe at 4b Positions"

0,0,1,"  ",1,.5,0,

"The bond length =",1.5

 

"No",583,"of",595,"bonds"

"atom No",5,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,0,"  ",0,1,1,

"The bond length =",1.5

 

"No",584,"of",595,"bonds"

"atom No",14,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",1,.5,1,

"The bond length =",1.5

 

"No",585,"of",595,"bonds"

"atom No",15,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

1,0,0,"  ",.5,1,1,

"The bond length =",1.5

 

"No",586,"of",595,"bonds"

"atom No",3,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

0,0,.5,"  ",1,1,0,

"The bond length =",1.5

 

"No",587,"of",595,"bonds"

"atom No",1,"----","atom No",32

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",.5,1,1,

"The bond length =",1.5

 

"No",588,"of",595,"bonds"

"atom No",1,"----","atom No",33

"Al at 4a Positions-----Fe at 4b Positions"

0,0,0,"  ",1,.5,1,

"The bond length =",1.5

 

"No",589,"of",595,"bonds"

"atom No",14,"----","atom No",21

"Al at 4a Positions-----Fe at 4b Positions"

0,1,0,"  ",.5,0,1,

"The bond length =",1.5

 

"No",590,"of",595,"bonds"

"atom No",21,"----","atom No",31

"Fe at 4b Positions-----Al at 4a Positions"

.5,0,1,"  ",1,1,0,

"The bond length =",1.5

 

"No",591,"of",595,"bonds"

"atom No",23,"----","atom No",29

"Fe at 4b Positions-----Al at 4a Positions"

1,0,.5,"  ",0,1,1,

"The bond length =",1.5

 

"No",592,"of",595,"bonds"

"atom No",13,"----","atom No",31

"Al at 4a Positions-----Al at 4a Positions"

0,0,1,"  ",1,1,0,

"The bond length =",1.732051

 

"No",593,"of",595,"bonds"

"atom No",1,"----","atom No",35

"Al at 4a Positions-----Al at 4a Positions"

0,0,0,"  ",1,1,1,

"The bond length =",1.732051

 

"No",594,"of",595,"bonds"

"atom No",14,"----","atom No",30

"Al at 4a Positions-----Al at 4a Positions"

0,1,0,"  ",1,0,1,

"The bond length =",1.732051

 

"No",595,"of",595,"bonds"

"atom No",15,"----","atom No",29

"Al at 4a Positions-----Al at 4a Positions"

1,0,0,"  ",0,1,1,

"The bond length =",1.732051

 

 

"The coordination number of every atom in the unit cell"

 

"bond No",1,"   the bond length =",.4330127

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",1

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",2

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",1

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",2

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",2

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",1

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",2

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",1

"atom No",10

.25,.25,.25,"           ","   its CN in the unit cell =",8

"atom No",11

.25,.25,.75,"           ","   its CN in the unit cell =",8

"atom No",12

.25,.75,.25,"           ","   its CN in the unit cell =",8

"atom No",13

.25,.75,.75,"           ","   its CN in the unit cell =",8

"atom No",14

.5,0,0,"           ","   its CN in the unit cell =",2

"atom No",15

.5,0,.5,"           ","   its CN in the unit cell =",4

"atom No",16

.5,0,1,"           ","   its CN in the unit cell =",2

"atom No",17

.5,.5,0,"           ","   its CN in the unit cell =",4

"atom No",18

.5,.5,.5,"           ","   its CN in the unit cell =",8

"atom No",19

.5,.5,1,"           ","   its CN in the unit cell =",4

"atom No",20

.5,1,0,"           ","   its CN in the unit cell =",2

"atom No",21

.5,1,.5,"           ","   its CN in the unit cell =",4

"atom No",22

.5,1,1,"           ","   its CN in the unit cell =",2

"atom No",23

.75,.25,.25,"           ","   its CN in the unit cell =",8

"atom No",24

.75,.25,.75,"           ","   its CN in the unit cell =",8

"atom No",25

.75,.75,.25,"           ","   its CN in the unit cell =",8

"atom No",26

.75,.75,.75,"           ","   its CN in the unit cell =",8

"atom No",27

1,0,0,"           ","   its CN in the unit cell =",1

"atom No",28

1,0,.5,"           ","   its CN in the unit cell =",2

"atom No",29

1,0,1,"           ","   its CN in the unit cell =",1

"atom No",30

1,.5,0,"           ","   its CN in the unit cell =",2

"atom No",31

1,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",32

1,.5,1,"           ","   its CN in the unit cell =",2

"atom No",33

1,1,0,"           ","   its CN in the unit cell =",1

"atom No",34

1,1,.5,"           ","   its CN in the unit cell =",2

"atom No",35

1,1,1,"           ","   its CN in the unit cell =",1

"bond No",2,"   the bond length =",.5

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",4

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",4

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",5

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",4

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",4

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",10

.25,.25,.25,"           ","   its CN in the unit cell =",3

"atom No",11

.25,.25,.75,"           ","   its CN in the unit cell =",3

"atom No",12

.25,.75,.25,"           ","   its CN in the unit cell =",3

"atom No",13

.25,.75,.75,"           ","   its CN in the unit cell =",3

"atom No",14

.5,0,0,"           ","   its CN in the unit cell =",4

"atom No",15

.5,0,.5,"           ","   its CN in the unit cell =",5

"atom No",16

.5,0,1,"           ","   its CN in the unit cell =",4

"atom No",17

.5,.5,0,"           ","   its CN in the unit cell =",5

"atom No",18

.5,.5,.5,"           ","   its CN in the unit cell =",6

"atom No",19

.5,.5,1,"           ","   its CN in the unit cell =",5

"atom No",20

.5,1,0,"           ","   its CN in the unit cell =",4

"atom No",21

.5,1,.5,"           ","   its CN in the unit cell =",5

"atom No",22

.5,1,1,"           ","   its CN in the unit cell =",4

"atom No",23

.75,.25,.25,"           ","   its CN in the unit cell =",3

"atom No",24

.75,.25,.75,"           ","   its CN in the unit cell =",3

"atom No",25

.75,.75,.25,"           ","   its CN in the unit cell =",3

"atom No",26

.75,.75,.75,"           ","   its CN in the unit cell =",3

"atom No",27

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",28

1,0,.5,"           ","   its CN in the unit cell =",4

"atom No",29

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",30

1,.5,0,"           ","   its CN in the unit cell =",4

"atom No",31

1,.5,.5,"           ","   its CN in the unit cell =",5

"atom No",32

1,.5,1,"           ","   its CN in the unit cell =",4

"atom No",33

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",34

1,1,.5,"           ","   its CN in the unit cell =",4

"atom No",35

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",3,"   the bond length =",.7071068

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",5

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",5

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",8

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",5

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",5

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",10

.25,.25,.25,"           ","   its CN in the unit cell =",3

"atom No",11

.25,.25,.75,"           ","   its CN in the unit cell =",3

"atom No",12

.25,.75,.25,"           ","   its CN in the unit cell =",3

"atom No",13

.25,.75,.75,"           ","   its CN in the unit cell =",3

"atom No",14

.5,0,0,"           ","   its CN in the unit cell =",5

"atom No",15

.5,0,.5,"           ","   its CN in the unit cell =",8

"atom No",16

.5,0,1,"           ","   its CN in the unit cell =",5

"atom No",17

.5,.5,0,"           ","   its CN in the unit cell =",8

"atom No",18

.5,.5,.5,"           ","   its CN in the unit cell =",12

"atom No",19

.5,.5,1,"           ","   its CN in the unit cell =",8

"atom No",20

.5,1,0,"           ","   its CN in the unit cell =",5

"atom No",21

.5,1,.5,"           ","   its CN in the unit cell =",8

"atom No",22

.5,1,1,"           ","   its CN in the unit cell =",5

"atom No",23

.75,.25,.25,"           ","   its CN in the unit cell =",3

"atom No",24

.75,.25,.75,"           ","   its CN in the unit cell =",3

"atom No",25

.75,.75,.25,"           ","   its CN in the unit cell =",3

"atom No",26

.75,.75,.75,"           ","   its CN in the unit cell =",3

"atom No",27

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",28

1,0,.5,"           ","   its CN in the unit cell =",5

"atom No",29

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",30

1,.5,0,"           ","   its CN in the unit cell =",5

"atom No",31

1,.5,.5,"           ","   its CN in the unit cell =",8

"atom No",32

1,.5,1,"           ","   its CN in the unit cell =",5

"atom No",33

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",34

1,1,.5,"           ","   its CN in the unit cell =",5

"atom No",35

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",4,"   the bond length =",.8291562

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",4

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",4

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",4

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",4

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",10

.25,.25,.25,"           ","   its CN in the unit cell =",12

"atom No",11

.25,.25,.75,"           ","   its CN in the unit cell =",12

"atom No",12

.25,.75,.25,"           ","   its CN in the unit cell =",12

"atom No",13

.25,.75,.75,"           ","   its CN in the unit cell =",12

"atom No",14

.5,0,0,"           ","   its CN in the unit cell =",4

"atom No",15

.5,0,.5,"           ","   its CN in the unit cell =",4

"atom No",16

.5,0,1,"           ","   its CN in the unit cell =",4

"atom No",17

.5,.5,0,"           ","   its CN in the unit cell =",4

"atom No",18

.5,.5,1,"           ","   its CN in the unit cell =",4

"atom No",19

.5,1,0,"           ","   its CN in the unit cell =",4

"atom No",20

.5,1,.5,"           ","   its CN in the unit cell =",4

"atom No",21

.5,1,1,"           ","   its CN in the unit cell =",4

"atom No",22

.75,.25,.25,"           ","   its CN in the unit cell =",12

"atom No",23

.75,.25,.75,"           ","   its CN in the unit cell =",12

"atom No",24

.75,.75,.25,"           ","   its CN in the unit cell =",12

"atom No",25

.75,.75,.75,"           ","   its CN in the unit cell =",12

"atom No",26

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",27

1,0,.5,"           ","   its CN in the unit cell =",4

"atom No",28

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",29

1,.5,0,"           ","   its CN in the unit cell =",4

"atom No",30

1,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",31

1,.5,1,"           ","   its CN in the unit cell =",4

"atom No",32

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",33

1,1,.5,"           ","   its CN in the unit cell =",4

"atom No",34

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",5,"   the bond length =",.8660254

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",1

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",2

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",1

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",2

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",2

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",1

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",2

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",1

"atom No",10

.25,.25,.25,"           ","   its CN in the unit cell =",1

"atom No",11

.25,.25,.75,"           ","   its CN in the unit cell =",1

"atom No",12

.25,.75,.25,"           ","   its CN in the unit cell =",1

"atom No",13

.25,.75,.75,"           ","   its CN in the unit cell =",1

"atom No",14

.5,0,0,"           ","   its CN in the unit cell =",2

"atom No",15

.5,0,.5,"           ","   its CN in the unit cell =",4

"atom No",16

.5,0,1,"           ","   its CN in the unit cell =",2

"atom No",17

.5,.5,0,"           ","   its CN in the unit cell =",4

"atom No",18

.5,.5,.5,"           ","   its CN in the unit cell =",8

"atom No",19

.5,.5,1,"           ","   its CN in the unit cell =",4

"atom No",20

.5,1,0,"           ","   its CN in the unit cell =",2

"atom No",21

.5,1,.5,"           ","   its CN in the unit cell =",4

"atom No",22

.5,1,1,"           ","   its CN in the unit cell =",2

"atom No",23

.75,.25,.25,"           ","   its CN in the unit cell =",1

"atom No",24

.75,.25,.75,"           ","   its CN in the unit cell =",1

"atom No",25

.75,.75,.25,"           ","   its CN in the unit cell =",1

"atom No",26

.75,.75,.75,"           ","   its CN in the unit cell =",1

"atom No",27

1,0,0,"           ","   its CN in the unit cell =",1

"atom No",28

1,0,.5,"           ","   its CN in the unit cell =",2

"atom No",29

1,0,1,"           ","   its CN in the unit cell =",1

"atom No",30

1,.5,0,"           ","   its CN in the unit cell =",2

"atom No",31

1,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",32

1,.5,1,"           ","   its CN in the unit cell =",2

"atom No",33

1,1,0,"           ","   its CN in the unit cell =",1

"atom No",34

1,1,.5,"           ","   its CN in the unit cell =",2

"atom No",35

1,1,1,"           ","   its CN in the unit cell =",1

"bond No",6,"   the bond length =",1

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",2

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",2

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",1

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",2

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",2

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",10

.5,0,0,"           ","   its CN in the unit cell =",2

"atom No",11

.5,0,.5,"           ","   its CN in the unit cell =",1

"atom No",12

.5,0,1,"           ","   its CN in the unit cell =",2

"atom No",13

.5,.5,0,"           ","   its CN in the unit cell =",1

"atom No",14

.5,.5,1,"           ","   its CN in the unit cell =",1

"atom No",15

.5,1,0,"           ","   its CN in the unit cell =",2

"atom No",16

.5,1,.5,"           ","   its CN in the unit cell =",1

"atom No",17

.5,1,1,"           ","   its CN in the unit cell =",2

"atom No",18

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",19

1,0,.5,"           ","   its CN in the unit cell =",2

"atom No",20

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",21

1,.5,0,"           ","   its CN in the unit cell =",2

"atom No",22

1,.5,.5,"           ","   its CN in the unit cell =",1

"atom No",23

1,.5,1,"           ","   its CN in the unit cell =",2

"atom No",24

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",25

1,1,.5,"           ","   its CN in the unit cell =",2

"atom No",26

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",7,"   the bond length =",1.089725

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",2

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",2

"atom No",5

0,.5,1,"           ","   its CN in the unit cell =",2

"atom No",6

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",7

0,1,.5,"           ","   its CN in the unit cell =",2

"atom No",8

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",9

.25,.25,.25,"           ","   its CN in the unit cell =",6

"atom No",10

.25,.25,.75,"           ","   its CN in the unit cell =",6

"atom No",11

.25,.75,.25,"           ","   its CN in the unit cell =",6

"atom No",12

.25,.75,.75,"           ","   its CN in the unit cell =",6

"atom No",13

.5,0,0,"           ","   its CN in the unit cell =",2

"atom No",14

.5,0,1,"           ","   its CN in the unit cell =",2

"atom No",15

.5,1,0,"           ","   its CN in the unit cell =",2

"atom No",16

.5,1,1,"           ","   its CN in the unit cell =",2

"atom No",17

.75,.25,.25,"           ","   its CN in the unit cell =",6

"atom No",18

.75,.25,.75,"           ","   its CN in the unit cell =",6

"atom No",19

.75,.75,.25,"           ","   its CN in the unit cell =",6

"atom No",20

.75,.75,.75,"           ","   its CN in the unit cell =",6

"atom No",21

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",22

1,0,.5,"           ","   its CN in the unit cell =",2

"atom No",23

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",24

1,.5,0,"           ","   its CN in the unit cell =",2

"atom No",25

1,.5,1,"           ","   its CN in the unit cell =",2

"atom No",26

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",27

1,1,.5,"           ","   its CN in the unit cell =",2

"atom No",28

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",8,"   the bond length =",1.118034

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",6

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",6

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",6

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",6

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",6

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",6

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",6

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",6

"atom No",10

.5,0,0,"           ","   its CN in the unit cell =",6

"atom No",11

.5,0,.5,"           ","   its CN in the unit cell =",4

"atom No",12

.5,0,1,"           ","   its CN in the unit cell =",6

"atom No",13

.5,.5,0,"           ","   its CN in the unit cell =",4

"atom No",14

.5,.5,1,"           ","   its CN in the unit cell =",4

"atom No",15

.5,1,0,"           ","   its CN in the unit cell =",6

"atom No",16

.5,1,.5,"           ","   its CN in the unit cell =",4

"atom No",17

.5,1,1,"           ","   its CN in the unit cell =",6

"atom No",18

1,0,0,"           ","   its CN in the unit cell =",6

"atom No",19

1,0,.5,"           ","   its CN in the unit cell =",6

"atom No",20

1,0,1,"           ","   its CN in the unit cell =",6

"atom No",21

1,.5,0,"           ","   its CN in the unit cell =",6

"atom No",22

1,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",23

1,.5,1,"           ","   its CN in the unit cell =",6

"atom No",24

1,1,0,"           ","   its CN in the unit cell =",6

"atom No",25

1,1,.5,"           ","   its CN in the unit cell =",6

"atom No",26

1,1,1,"           ","   its CN in the unit cell =",6

"bond No",9,"   the bond length =",1.224745

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",4

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",4

"atom No",5

0,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",6

0,.5,1,"           ","   its CN in the unit cell =",4

"atom No",7

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",8

0,1,.5,"           ","   its CN in the unit cell =",4

"atom No",9

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",10

.5,0,0,"           ","   its CN in the unit cell =",4

"atom No",11

.5,0,.5,"           ","   its CN in the unit cell =",4

"atom No",12

.5,0,1,"           ","   its CN in the unit cell =",4

"atom No",13

.5,.5,0,"           ","   its CN in the unit cell =",4

"atom No",14

.5,.5,1,"           ","   its CN in the unit cell =",4

"atom No",15

.5,1,0,"           ","   its CN in the unit cell =",4

"atom No",16

.5,1,.5,"           ","   its CN in the unit cell =",4

"atom No",17

.5,1,1,"           ","   its CN in the unit cell =",4

"atom No",18

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",19

1,0,.5,"           ","   its CN in the unit cell =",4

"atom No",20

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",21

1,.5,0,"           ","   its CN in the unit cell =",4

"atom No",22

1,.5,.5,"           ","   its CN in the unit cell =",4

"atom No",23

1,.5,1,"           ","   its CN in the unit cell =",4

"atom No",24

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",25

1,1,.5,"           ","   its CN in the unit cell =",4

"atom No",26

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",10,"   the bond length =",1.299038

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",1

"atom No",2

0,0,1,"           ","   its CN in the unit cell =",1

"atom No",3

0,1,0,"           ","   its CN in the unit cell =",1

"atom No",4

0,1,1,"           ","   its CN in the unit cell =",1

"atom No",5

.25,.25,.25,"           ","   its CN in the unit cell =",1

"atom No",6

.25,.25,.75,"           ","   its CN in the unit cell =",1

"atom No",7

.25,.75,.25,"           ","   its CN in the unit cell =",1

"atom No",8

.25,.75,.75,"           ","   its CN in the unit cell =",1

"atom No",9

.75,.25,.25,"           ","   its CN in the unit cell =",1

"atom No",10

.75,.25,.75,"           ","   its CN in the unit cell =",1

"atom No",11

.75,.75,.25,"           ","   its CN in the unit cell =",1

"atom No",12

.75,.75,.75,"           ","   its CN in the unit cell =",1

"atom No",13

1,0,0,"           ","   its CN in the unit cell =",1

"atom No",14

1,0,1,"           ","   its CN in the unit cell =",1

"atom No",15

1,1,0,"           ","   its CN in the unit cell =",1

"atom No",16

1,1,1,"           ","   its CN in the unit cell =",1

"bond No",11,"   the bond length =",1.414214

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",1

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",1

"atom No",5

0,.5,1,"           ","   its CN in the unit cell =",1

"atom No",6

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",7

0,1,.5,"           ","   its CN in the unit cell =",1

"atom No",8

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",9

.5,0,0,"           ","   its CN in the unit cell =",1

"atom No",10

.5,0,1,"           ","   its CN in the unit cell =",1

"atom No",11

.5,1,0,"           ","   its CN in the unit cell =",1

"atom No",12

.5,1,1,"           ","   its CN in the unit cell =",1

"atom No",13

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",14

1,0,.5,"           ","   its CN in the unit cell =",1

"atom No",15

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",16

1,.5,0,"           ","   its CN in the unit cell =",1

"atom No",17

1,.5,1,"           ","   its CN in the unit cell =",1

"atom No",18

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",19

1,1,.5,"           ","   its CN in the unit cell =",1

"atom No",20

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",12,"   the bond length =",1.5

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",3

"atom No",2

0,0,.5,"           ","   its CN in the unit cell =",2

"atom No",3

0,0,1,"           ","   its CN in the unit cell =",3

"atom No",4

0,.5,0,"           ","   its CN in the unit cell =",2

"atom No",5

0,.5,1,"           ","   its CN in the unit cell =",2

"atom No",6

0,1,0,"           ","   its CN in the unit cell =",3

"atom No",7

0,1,.5,"           ","   its CN in the unit cell =",2

"atom No",8

0,1,1,"           ","   its CN in the unit cell =",3

"atom No",9

.5,0,0,"           ","   its CN in the unit cell =",2

"atom No",10

.5,0,1,"           ","   its CN in the unit cell =",2

"atom No",11

.5,1,0,"           ","   its CN in the unit cell =",2

"atom No",12

.5,1,1,"           ","   its CN in the unit cell =",2

"atom No",13

1,0,0,"           ","   its CN in the unit cell =",3

"atom No",14

1,0,.5,"           ","   its CN in the unit cell =",2

"atom No",15

1,0,1,"           ","   its CN in the unit cell =",3

"atom No",16

1,.5,0,"           ","   its CN in the unit cell =",2

"atom No",17

1,.5,1,"           ","   its CN in the unit cell =",2

"atom No",18

1,1,0,"           ","   its CN in the unit cell =",3

"atom No",19

1,1,.5,"           ","   its CN in the unit cell =",2

"atom No",20

1,1,1,"           ","   its CN in the unit cell =",3

"bond No",13,"   the bond length =",1.732051

"atom No",1

0,0,0,"           ","   its CN in the unit cell =",1

"atom No",2

0,0,1,"           ","   its CN in the unit cell =",1

"atom No",3

0,1,0,"           ","   its CN in the unit cell =",1

"atom No",4

0,1,1,"           ","   its CN in the unit cell =",1

"atom No",5

1,0,0,"           ","   its CN in the unit cell =",1

"atom No",6

1,0,1,"           ","   its CN in the unit cell =",1

"atom No",7

1,1,0,"           ","   its CN in the unit cell =",1

"atom No",8

1,1,1,"           ","   its CN in the unit cell =",1

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