 Ca H O
   1.0
     6.2287845700000002    0.0000000000000000   -0.0705788100000000
     0.0000000000000000    3.4876846499999998    0.0000000000000000
    -0.6659381800000000    0.0000000000000000    4.5731060100000001
 Ca H O
   2   4   4
Direct
   0.5000000000000000  0.4568937300000000  0.0000000000000000
   0.0000000000000000  0.9568937300000000  0.0000000000000000
   0.2228948500000000  0.3272286100000000  0.4430069700000000
   0.2771051500000000  0.8272286100000000  0.5569930300000000
   0.7228948500000000  0.8272286100000000  0.4430069700000000
   0.7771051500000000  0.3272286100000000  0.5569930300000000
   0.2019684100000000  0.4711171700000000  0.2551683500000000
   0.2980315900000000  0.9711171700000000  0.7448316500000001
   0.7019684100000000  0.9711171700000000  0.2551683500000000
   0.7980315900000000  0.4711171700000000  0.7448316500000001