 O Ca Sc
   1.0
     9.3813680799999997    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.1281872399999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000   11.0540198200000006
 O Ca Sc
  16   4   8
Direct
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