||
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
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"atom No",9
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"atom No",10
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"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
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"atom No",14
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"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
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"atom No",11
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"atom No",12
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"atom No",13
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"atom No",14
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"atom No",15
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"atom No",16
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"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
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"atom No",22
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"atom No",23
.75,.25,.75," "," its CN in the unit cell =",12
"atom No",24
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"atom No",25
.75,.75,.75," "," its CN in the unit cell =",12
"atom No",26
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"atom No",27
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"atom No",28
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"atom No",29
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"atom No",30
1,.5,.5," "," its CN in the unit cell =",4
"atom No",31
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"atom No",32
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"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
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"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
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"atom No",7
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"atom No",8
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"atom No",9
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"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
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"atom No",21
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"atom No",22
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"atom No",23
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"atom No",24
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"atom No",25
.75,.75,.25," "," its CN in the unit cell =",1
"atom No",26
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"atom No",27
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"atom No",28
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"atom No",29
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"atom No",30
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"atom No",31
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"atom No",32
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"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
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"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
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"atom No",6
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"atom No",7
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"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
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"atom No",11
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"atom No",12
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"atom No",13
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"atom No",14
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"atom No",15
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"atom No",16
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"atom No",17
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"atom No",18
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"atom No",19
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"atom No",20
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"atom No",21
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"atom No",22
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"atom No",23
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"atom No",24
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"atom No",25
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"atom No",26
1,1,1," "," its CN in the unit cell =",3
"bond No",7," the bond length =",1.089725
"atom No",1
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"atom No",2
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"atom No",3
0,0,1," "," its CN in the unit cell =",3
"atom No",4
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"atom No",5
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"atom No",6
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"atom No",7
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"atom No",8
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"atom No",9
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"atom No",10
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"atom No",11
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"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
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"atom No",23
1,0,1," "," its CN in the unit cell =",3
"atom No",24
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"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
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"atom No",5
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"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
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"atom No",11
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"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
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"atom No",22
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"atom No",23
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"atom No",24
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"atom No",25
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"atom No",26
1,1,1," "," its CN in the unit cell =",6
"bond No",9," the bond length =",1.224745
"atom No",1
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"atom No",2
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"atom No",3
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"atom No",4
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"atom No",5
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"atom No",6
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"atom No",7
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"atom No",8
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"atom No",9
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"atom No",10
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"atom No",11
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"atom No",12
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"atom No",13
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"atom No",14
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"atom No",15
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"atom No",16
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"atom No",17
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"atom No",18
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"atom No",19
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"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
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"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
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"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
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"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
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"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
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"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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