 Ca Th Si O
   1.0
     7.4785452299999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.4785452299999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.0504033300000000
 Ca Th Si O
   4   2  16  40
Direct
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   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
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   0.7957913599999999  0.7042086400000001  0.7500000000000000
   0.1033724400000000  0.2561915800000000  0.9199746600000001
   0.2042086400000000  0.2957913600000000  0.7500000000000000
   0.2477067500000000  0.0485882600000000  0.6254238700000000
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