 Ca B H O
   1.0
     7.2150241599999996    0.0000000000000000   -0.0266986900000000
     0.0000000000000000    8.1112137400000002    0.0000000000000000
    -1.1954361099999999    0.0000000000000000    8.1485964299999996
 Ca B H O
   4  12  12  28
Direct
   0.9262315800000001  0.7070953900000000  0.6131170200000000
   0.0737684200000000  0.2070953900000000  0.8868829800000000
   0.0737684200000000  0.2929046100000000  0.3868829800000000
   0.9262315800000001  0.7929046100000000  0.1131170200000000
   0.6900064400000000  0.5391864399999999  0.8339328900000000
   0.3099935600000000  0.0391864400000000  0.6660671100000000
   0.3099935600000000  0.4608135600000000  0.1660671100000000
   0.6900064400000000  0.9608135600000000  0.3339328900000000
   0.2207206300000000  0.6480680800000000  0.3908099500000000
   0.7792793700000000  0.1480680800000000  0.1091900500000000
   0.7792793700000000  0.3519319200000000  0.6091900500000000
   0.2207206300000000  0.8519319200000000  0.8908099500000000
   0.5184076200000001  0.6898038200000001  0.2877495000000000
   0.4815923800000000  0.1898038200000000  0.2122505000000000
   0.4815923800000000  0.3101961800000000  0.7122505000000000
   0.5184076200000001  0.8101961799999999  0.7877495000000000
   0.6440600900000000  0.5447158500000000  0.0746130800000000
   0.3559399100000000  0.0447158500000000  0.4253869200000000
   0.3559399100000000  0.4552841500000000  0.9253869200000000
   0.6440600900000000  0.9552841500000000  0.5746130800000000
   0.3136410100000000  0.5459860999999999  0.6243460300000000
   0.6863589900000000  0.0459861000000000  0.8756539700000000
   0.6863589900000000  0.4540139000000000  0.3756539700000000
   0.3136410100000000  0.9540139000000000  0.1243460300000000
   0.1398057900000000  0.6103023300000000  0.9244969600000000
   0.8601942100000000  0.1103023300000000  0.5755030400000001
   0.8601942100000000  0.3896976700000000  0.0755030400000000
   0.1398057900000000  0.8896976700000000  0.4244969600000000
   0.0780321000000000  0.7202825900000001  0.8851215900000000
   0.9219679000000001  0.2202825900000000  0.6148784100000000
   0.9219679000000001  0.2797174100000000  0.1148784100000000
   0.0780321000000000  0.7797174099999999  0.3851215900000000
   0.1686913000000000  0.5457082900000000  0.2445875100000000
   0.8313087000000000  0.0457082900000000  0.2554124900000000
   0.8313087000000000  0.4542917100000000  0.7554124900000000
   0.1686913000000000  0.9542917100000000  0.7445875100000000
   0.6650633699999999  0.7091959900000000  0.7635086799999999
   0.3349366300000000  0.2091959900000000  0.7364913200000001
   0.3349366300000000  0.2908040100000000  0.2364913200000000
   0.6650633699999999  0.7908040100000000  0.2635086800000000
   0.7552349400000000  0.5509446300000000  0.0117775000000000
   0.2447650600000000  0.0509446300000000  0.4882225000000000
   0.2447650600000000  0.4490553700000000  0.9882225000000000
   0.7552349400000000  0.9490553700000000  0.5117775000000000
   0.2013690200000000  0.5441227199999998  0.5402115199999999
   0.7986309800000000  0.0441227200000000  0.9597884800000001
   0.7986309800000000  0.4558772800000000  0.4597884800000000
   0.2013690200000000  0.9558772800000001  0.0402115200000000
   0.4048388500000000  0.7228474200000000  0.4011922200000000
   0.5951611500000000  0.2228474200000000  0.0988077800000000
   0.5951611500000000  0.2771525800000000  0.5988077800000000
   0.4048388500000000  0.7771525800000000  0.9011922200000000
   0.4944609200000000  0.5466661700000000  0.1955728500000000
   0.5055390799999999  0.0466661700000000  0.3044271500000000
   0.5055390799999999  0.4533338300000000  0.8044271500000000
   0.4944609200000000  0.9533338300000000  0.6955728500000000