 Ca Mg B H C O
   1.0
    17.3579072900000000    0.0000000000000000    0.0597935400000000
     0.0000000000000000    8.5506522300000007    0.0000000000000000
    -0.8948441100000000    0.0000000000000000    4.3690073500000004
 Ca Mg B H C O
   8   2   8  12   4  36
Direct
   0.8433615000000000  0.2319276800000000  0.8543535900000000
   0.8433615000000000  0.7680723200000000  0.8543535900000000
   0.6566385000000000  0.2680723200000000  0.1456464100000000
   0.6566385000000000  0.7319276800000001  0.1456464100000000
   0.3433615000000000  0.7319276800000001  0.8543535900000000
   0.3433615000000000  0.2680723200000000  0.8543535900000000
   0.1566385000000000  0.7680723200000000  0.1456464100000000
   0.1566385000000000  0.2319276800000000  0.1456464100000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.7282340800000000  0.5000000000000000
   0.5000000000000000  0.2717659200000000  0.5000000000000000
   0.9007620100000000  0.0000000000000000  0.3849226400000000
   0.5992379900000000  0.5000000000000000  0.6150773600000000
   0.0000000000000000  0.2282340800000000  0.5000000000000000
   0.0000000000000000  0.7717659200000000  0.5000000000000000
   0.4007620100000000  0.5000000000000000  0.3849226400000000
   0.0992379900000000  0.0000000000000000  0.6150773600000000
   0.9926001300000000  0.3968003900000000  0.7913587700000000
   0.9926001300000000  0.6031996100000000  0.7913587700000000
   0.5073998700000000  0.1031996100000000  0.2086412300000000
   0.5073998700000000  0.8968003900000000  0.2086412300000000
   0.7814245800000000  0.0000000000000000  0.3193411400000000
   0.7185754200000001  0.5000000000000000  0.6806588600000000
   0.4926001300000000  0.8968003900000000  0.7913587700000000
   0.4926001300000000  0.1031996100000000  0.7913587700000000
   0.0073998700000000  0.6031996100000000  0.2086412300000000
   0.0073998700000000  0.3968003900000000  0.2086412300000000
   0.2814245800000000  0.5000000000000000  0.3193411400000000
   0.2185754200000000  0.0000000000000000  0.6806588600000000
   0.6917145600000000  0.0000000000000000  0.7476594900000000
   0.8082854400000000  0.5000000000000000  0.2523405100000000
   0.1917145600000000  0.5000000000000000  0.7476594900000000
   0.3082854400000000  0.0000000000000000  0.2523405100000000
   0.8971668800000000  0.0000000000000000  0.6971405800000000
   0.6028331200000000  0.5000000000000000  0.3028594200000000
   0.9429083800000000  0.1379573400000000  0.2807864000000000
   0.9429083800000000  0.8620426600000000  0.2807864000000000
   0.5570916200000000  0.3620426600000000  0.7192136000000000
   0.5570916200000000  0.6379573400000000  0.7192136000000000
   0.9542024400000000  0.3261344900000000  0.6741880200000000
   0.9542024400000000  0.6738655099999999  0.6741880200000000
   0.5457975600000000  0.1738655100000000  0.3258119800000000
   0.5457975600000000  0.8261344900000001  0.3258119800000000
   0.7859283400000000  0.3674636300000000  0.3513410600000000
   0.7859283400000000  0.6325363700000000  0.3513410600000000
   0.7140716600000000  0.1325363700000000  0.6486589400000000
   0.7140716600000000  0.8674636300000000  0.6486589400000000
   0.8200742800000000  0.0000000000000000  0.1848199400000000
   0.6799257200000000  0.5000000000000000  0.8151800600000000
   0.6494736800000001  0.0000000000000000  0.9560228500000000
   0.8505263199999999  0.5000000000000000  0.0439771500000000
   0.3971668800000000  0.5000000000000000  0.6971405800000000
   0.1028331200000000  0.0000000000000000  0.3028594200000000
   0.4429083800000000  0.6379573400000000  0.2807864000000000
   0.4429083800000000  0.3620426600000000  0.2807864000000000
   0.0570916200000000  0.8620426600000000  0.7192136000000000
   0.0570916200000000  0.1379573400000000  0.7192136000000000
   0.4542024400000000  0.8261344900000001  0.6741880200000000
   0.4542024400000000  0.1738655100000000  0.6741880200000000
   0.0457975600000000  0.6738655099999999  0.3258119800000000
   0.0457975600000000  0.3261344900000000  0.3258119800000000
   0.2859283400000000  0.8674636300000000  0.3513410600000000
   0.2859283400000000  0.1325363700000000  0.3513410600000000
   0.2140716600000000  0.6325363700000000  0.6486589400000000
   0.2140716600000000  0.3674636300000000  0.6486589400000000
   0.3200742800000000  0.5000000000000000  0.1848199400000000
   0.1799257200000000  0.0000000000000000  0.8151800600000000
   0.1494736800000000  0.5000000000000000  0.9560228500000000
   0.3505263200000000  0.0000000000000000  0.0439771500000000