pyclupan: 1-0-0
1.0
   4.000000000000000 0.000000000000000 0.000000000000000
   0.000000000000000 4.000000000000000 0.000000000000000
   0.000000000000000 0.000000000000000 4.000000000000000
 Sr  Cu  O
 1  1  3
Direct
   0.000000000000000 0.000000000000000 0.000000000000000
   0.500000000000000 0.500000000000000 0.500000000000000
   0.500000000000000 0.500000000000000 0.000000000000000
   0.000000000000000 0.500000000000000 0.500000000000000
   0.500000000000000 0.000000000000000 0.500000000000000
