 Ca H O
   1.0
     6.2266037100000000    0.0000000000000000   -0.1767812000000000
     0.0000000000000000    3.4877206500000000    0.0000000000000000
    -0.5870459000000000    0.0000000000000000    4.5846205800000002
 Ca H O
   2   4   4
Direct
   0.5000000000000000  0.5141545000000001  0.0000000000000000
   0.0000000000000000  0.0141545000000000  0.0000000000000000
   0.2772279600000000  0.1436613900000000  0.5570221700000000
   0.2227720400000000  0.6436613900000000  0.4429778300000000
   0.7772279600000001  0.6436613900000000  0.5570221700000000
   0.7227720399999999  0.1436613900000000  0.4429778300000000
   0.2980848700000000  0.9999633500000000  0.7448867800000001
   0.2019151300000000  0.4999633500000000  0.2551132200000000
   0.7980848700000001  0.4999633500000000  0.7448867800000001
   0.7019151299999999  0.9999633500000000  0.2551132200000000