 S Ca Sc
   1.0
    11.3649082799999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.7002551800000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   13.3450588200000002
 S Ca Sc
  16   4   8
Direct
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   0.9084929800000000  0.7500000000000000  0.5764705900000000
   0.5915070200000000  0.2500000000000000  0.0764705900000000
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   0.0592872400000000  0.2500000000000000  0.6111628200000000