 H O Cl Ca
   1.0
     7.7404179199999996    0.0000000000000000    0.0000000000000000
    -3.8702089499999999    6.7033985600000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.8646420500000001
 H O Cl Ca
  12   6   2   1
Direct
   0.2330919300000000  0.8832047800000000  0.4752756600000000
   0.6501128400000000  0.7669080699999999  0.4752756600000000
   0.1167952200000000  0.3498871600000000  0.4752756600000000
   0.7669080699999999  0.6501128400000000  0.5247243400000000
   0.3498871600000000  0.1167952200000000  0.5247243400000000
   0.8832047800000000  0.2330919300000000  0.5247243400000000
   0.5596184200000001  0.8977672300000000  0.8943199400000000
   0.3381488100000000  0.4403815800000000  0.8943199400000000
   0.1022327700000000  0.6618511899999999  0.8943199400000000
   0.8977672300000000  0.5596184200000001  0.1056800600000000
   0.6618511899999999  0.1022327700000000  0.1056800600000000
   0.4403815800000000  0.3381488100000000  0.1056800600000000
   0.7861589200000000  0.7861589200000000  0.5000000000000000
   0.2138410800000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.2138410800000000  0.5000000000000000
   0.3133594000000000  0.3133594000000000  0.0000000000000000
   0.6866406000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.6866406000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.4144460200000000
   0.3333333300000000  0.6666666700000000  0.5855539800000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000