 O S Ca
   1.0
     6.9595778700000004    0.0000000000000000    0.0000000000000000
    -3.4797889400000002    6.0271712300000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.2553656699999998
 O S Ca
  12   3   3
Direct
   0.6903421900000000  0.5533307000000001  0.6903583600000001
   0.8629885100000000  0.3096578100000000  0.0236917000000000
   0.4466693000000000  0.1370114900000000  0.3570250300000000
   0.5533307000000001  0.8629885100000000  0.3570250300000000
   0.1370114900000000  0.4466693000000000  0.3096416400000000
   0.3096578100000000  0.4466693000000000  0.6903583600000001
   0.8629885100000000  0.5533307000000001  0.3096416400000000
   0.5533307000000001  0.6903421900000000  0.9763083000000000
   0.3096578100000000  0.8629885100000000  0.6429749700000000
   0.6903421900000000  0.1370114900000000  0.6429749700000000
   0.4466693000000000  0.3096578100000000  0.9763083000000000
   0.1370114900000000  0.6903421900000000  0.0236917000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.5000000000000000  0.8333333300000000
   0.0000000000000000  0.5000000000000000  0.1666666700000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.3333333300000000
   0.0000000000000000  0.5000000000000000  0.6666666700000000
