 O S Ca
   1.0
     6.3337072599999997    0.0000000000000000   -0.0113854100000000
     0.0000000000000000    6.8655933400000002    0.0000000000000000
    -4.7753527299999998    0.0000000000000000    6.4875480599999999
 O S Ca
  16   4   4
Direct
   0.5799413500000000  0.2909134400000000  0.3760629200000000
   0.4200586500000000  0.7909134400000000  0.1239370800000000
   0.4200586500000000  0.7090865600000000  0.6239370799999999
   0.5799413500000000  0.2090865600000000  0.8760629200000000
   0.3345817100000000  0.3998366000000000  0.0320351200000000
   0.6654182900000001  0.8998366000000000  0.4679648800000000
   0.6654182900000001  0.6001634000000000  0.9679648800000000
   0.3345817100000000  0.1001634000000000  0.5320351200000000
   0.1920158900000000  0.0082794500000000  0.7476498300000001
   0.8079841100000000  0.5082794500000001  0.7523501700000000
   0.8079841100000000  0.9917205500000000  0.2523501700000000
   0.1920158900000000  0.4917205500000000  0.2476498300000000
   0.1292807100000000  0.3330284200000000  0.6195595899999999
   0.8707192900000000  0.8330284200000000  0.8804404100000001
   0.8707192900000000  0.6669715800000000  0.3804404100000000
   0.1292807100000000  0.1669715800000000  0.1195595900000000
   0.3101376500000000  0.3385416800000000  0.1965686200000000
   0.6898623500000001  0.8385416800000001  0.3034313800000000
   0.6898623500000001  0.6614583199999999  0.8034313800000000
   0.3101376500000000  0.1614583200000000  0.6965686200000001
   0.8141534699999999  0.3453128400000000  0.2187556800000000
   0.1858465300000000  0.8453128400000001  0.2812443200000000
   0.1858465300000000  0.6546871599999999  0.7812443200000000
   0.8141534699999999  0.1546871600000000  0.7187556800000000