 Ca H O
   1.0
     5.3797104300000003    0.0000000000000000   -0.0829157200000000
     0.0000000000000000    5.9959036499999998    0.0000000000000000
    -1.5014631500000000    0.0000000000000000    5.7339800600000004
 Ca H O
   4   8   8
Direct
   0.1838247400000000  0.4286419100000000  0.3142779100000000
   0.8161752600000001  0.9286419100000000  0.1857220900000000
   0.8161752600000001  0.5713580899999999  0.6857220900000001
   0.1838247400000000  0.0713580900000000  0.8142779099999999
   0.3711121500000000  0.9940469600000000  0.3017251800000000
   0.6288878500000000  0.4940469600000000  0.1982748200000000
   0.6288878500000000  0.0059530400000000  0.6982748200000000
   0.3711121500000000  0.5059530400000001  0.8017251800000000
   0.2851762600000000  0.7165991800000000  0.0851890500000000
   0.7148237399999999  0.2165991800000000  0.4148109500000000
   0.7148237399999999  0.2834008200000000  0.9148109500000000
   0.2851762600000000  0.7834008200000000  0.5851890500000000
   0.4302625500000000  0.1229493400000000  0.2278666000000000
   0.5697374500000000  0.6229493400000000  0.2721334000000000
   0.5697374500000000  0.8770506600000000  0.7721334000000000
   0.4302625500000000  0.3770506600000000  0.7278666000000000
   0.0969378000000000  0.7394071000000000  0.0071792300000000
   0.9030622000000000  0.2394071000000000  0.4928207700000000
   0.9030622000000000  0.2605929000000000  0.9928207700000000
   0.0969378000000000  0.7605929000000000  0.5071792300000000