原子坐标：方的可以描述不方的

魔方是立方体，但是也可以描述其他低对称性的物体。

Zn是典型的六方晶体（A3），用刀把魔方切出一个六角形，魔方就可以描述A3晶体了。

Zn的a=2.6650；c=4.9470。

" 原子坐标(x,y,z)              键距 d    配位数  Z

" (x,y,z)                      d=",2.6649,"    Z=",6

-2.665,0,0

-1.3325,-2.308,0

-1.3325,2.308,0

1.3325,-2.308,0

1.3325,2.308,0

2.665,0,0

" (x,y,z)                 d=",2.913,"         Z=",6

-1.3325,-.7693,-2.4735

0,1.5386,-2.4735

1.3325,-.7693,-2.4735

-1.3325,-.7693,2.4735

0,1.5386,2.4735

1.3325,-.7693,2.4735

" (x,y,z)                   d=",3.9481,"         Z=",6

-2.665,1.5386,-2.4735

0,-3.0773,-2.4735

2.665,1.5386,-2.4735

-2.665,1.5386,2.4735

0,-3.0773,2.4735

2.665,1.5386,2.4735

" (x,y,z)                  d=",4.6159,"         Z=",6

-3.9975,-2.308,0

-3.9975,2.308,0

0,-4.6159,0

0,4.6159,0

3.9975,-2.308,0

3.9975,2.308,0

" (x,y,z)                   d=",4.7634,"         Z=",12

-3.9975,-.7693,-2.4735

-2.665,-3.0773,-2.4735

-1.3325,3.8466,-2.4735

1.3325,3.8466,-2.4735

2.665,-3.0773,-2.4735

3.9975,-.7693,-2.4735

-3.9975,-.7693,2.4735

-2.665,-3.0773,2.4735

-1.3325,3.8466,2.4735

1.3325,3.8466,2.4735

2.665,-3.0773,2.4735

3.9975,-.7693,2.4735

" (x,y,z)                     d=",4.947,"         Z=",2

0,0,-4.947

0,0,4.947

只需要一把刀：魔方和晶体衍射

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