 Ca Al H
   1.0
     4.1938214599999997    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.8489833100000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   11.9306762000000006
 Ca Al H
   4   4  20
Direct
   0.2967962800000000  0.1360682700000000  0.8386140399999999
   0.7967962800000000  0.3639317300000000  0.1613859600000000
   0.7032037200000000  0.6360682700000000  0.6613859600000001
   0.2032037200000000  0.8639317300000000  0.3386140400000000
   0.8110405199999999  0.3797708000000000  0.4153018900000000
   0.6889594800000001  0.6202292000000000  0.9153018900000001
   0.1889594800000000  0.8797708000000000  0.0846981100000000
   0.3110405200000000  0.1202292000000000  0.5846981099999999
   0.0116132500000000  0.1257136100000000  0.0057549000000000
   0.1405230700000000  0.3726189100000000  0.3260796200000000
   0.5087735000000000  0.8903256100000000  0.9928686300000000
   0.3213960600000000  0.6147807199999999  0.1679165000000000
   0.1699193200000000  0.8776559800000000  0.6767255599999999
   0.1786039400000000  0.3852192800000000  0.6679165000000000
   0.0087735000000000  0.6096743900000000  0.0071313700000000
   0.6786039400000000  0.1147807200000000  0.3320835000000000
   0.6405230700000000  0.1273810900000000  0.6739203800000000
   0.4883867500000000  0.8742863900000000  0.5057549000000000
   0.4912265000000000  0.3903256100000000  0.5071313700000000
   0.9883867500000000  0.6257136100000000  0.4942451000000000
   0.8300806800000000  0.3776559800000000  0.8232744400000001
   0.6699193200000000  0.6223440200000000  0.3232744400000000
   0.3300806800000000  0.1223440200000000  0.1767255600000000
   0.3594769300000000  0.6273810900000000  0.8260796200000000
   0.5116132500000000  0.3742863900000000  0.9942451000000000
   0.8594769300000000  0.8726189100000000  0.1739203800000000
   0.9912265000000000  0.1096743900000000  0.4928686300000000
   0.8213960600000000  0.8852192800000001  0.8320835000000000