 O Cl Ca
   1.0
     8.9552469699999993    0.0000000000000000    0.0000000000000000
    -4.4776234800000001    7.7554713700000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.7807844800000003
 O Cl Ca
   2  12   8
Direct
   0.6666666700000000  0.3333333300000000  0.3950849900000000
   0.3333333300000000  0.6666666700000000  0.8950849900000000
   0.8620704800000000  0.1379295200000000  0.1152247200000000
   0.1379295200000000  0.2758590300000000  0.6152247200000001
   0.7241409700000000  0.8620704800000000  0.6152247200000001
   0.2758590300000000  0.1379295200000000  0.1152247200000000
   0.8620704800000000  0.7241409700000000  0.1152247200000000
   0.1379295200000000  0.8620704800000000  0.6152247200000001
   0.4639210800000000  0.5360789200000000  0.2909755700000000
   0.5360789200000000  0.0721578500000000  0.7909755700000000
   0.9278421500000000  0.4639210800000000  0.7909755700000000
   0.0721578500000000  0.5360789200000000  0.2909755700000000
   0.4639210800000000  0.9278421500000000  0.2909755700000000
   0.5360789200000000  0.4639210800000000  0.7909755700000000
   0.8016586100000000  0.1983413900000000  0.5005890500000000
   0.1983413900000000  0.3966828000000000  0.0005890500000000
   0.6033172000000000  0.8016586100000000  0.0005890500000000
   0.3966828000000000  0.1983413900000000  0.5005890500000000
   0.8016586100000000  0.6033172000000000  0.5005890500000000
   0.1983413900000000  0.8016586100000000  0.0005890500000000
   0.6666666700000000  0.3333333300000000  0.0730570100000000
   0.3333333300000000  0.6666666700000000  0.5730570100000000