 Ca H Cl O
   1.0
     3.8230843299999999    0.0000000000000000    0.0000000000000000
    -1.9115421699999999    3.3108881499999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.7290170899999993
 Ca H Cl O
   2   2   2   2
Direct
   0.6666666700000000  0.3333333300000000  0.5001226200000000
   0.3333333300000000  0.6666666700000000  0.0001226200000000
   0.0000000000000000  0.0000000000000000  0.3313240500000000
   0.0000000000000000  0.0000000000000000  0.8313240500000000
   0.6666666700000000  0.3333333300000000  0.1844101300000000
   0.3333333300000000  0.6666666700000000  0.6844101300000001
   0.0000000000000000  0.0000000000000000  0.4323432000000000
   0.0000000000000000  0.0000000000000000  0.9323432000000000