 Ca Mg Fe H
   1.0
     6.5868027299999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.5868027299999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.5868027299999996
 Ca Mg Fe H
   4   4   3  22
Direct
   0.2910194700000000  0.2910194700000000  0.7089805300000001
   0.2910194700000000  0.7089805300000001  0.2910194700000000
   0.7089805300000001  0.2910194700000000  0.2910194700000000
   0.7089805300000001  0.7089805300000001  0.7089805300000001
   0.7863993100000000  0.7863993100000000  0.2136006900000000
   0.7863993100000000  0.2136006900000000  0.7863993100000000
   0.2136006900000000  0.7863993100000000  0.7863993100000000
   0.2136006900000000  0.2136006900000000  0.2136006900000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.2381928800000000
   0.5000000000000000  0.7618071200000001  0.0000000000000000
   0.7618071200000001  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.7618071200000001  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.2381928800000000
   0.7618071200000001  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.7618071200000001
   0.5000000000000000  0.2381928800000000  0.0000000000000000
   0.0000000000000000  0.2381928800000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.7618071200000001
   0.2381928800000000  0.0000000000000000  0.5000000000000000
   0.2381928800000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.2625862900000000
   0.0000000000000000  0.7374137100000000  0.0000000000000000
   0.7374137100000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.7374137100000000
   0.0000000000000000  0.2625862900000000  0.0000000000000000
   0.2625862900000000  0.0000000000000000  0.0000000000000000
   0.6243253600000001  0.6243253600000001  0.3756746400000000
   0.6243253600000001  0.3756746400000000  0.6243253600000001
   0.3756746400000000  0.6243253600000001  0.6243253600000001
   0.3756746400000000  0.3756746400000000  0.3756746400000000