 Ca Mg H
   1.0
     6.1576429700000004    0.0000000000000000    0.0000000000000000
    -3.0788214900000002    5.3326752400000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.7983741699999998
 Ca Mg H
   4   3  14
Direct
   0.0000000000000000  0.0000000000000000  0.2678867300000000
   0.0000000000000000  0.0000000000000000  0.7321132699999999
   0.6666666700000000  0.3333333300000000  0.5000000000000000
   0.3333333300000000  0.6666666700000000  0.5000000000000000
   0.5645703000000000  0.5645703000000000  0.0000000000000000
   0.0000000000000000  0.4354297000000000  0.0000000000000000
   0.4354297000000000  0.0000000000000000  0.0000000000000000
   0.6141077600000000  0.6141077600000000  0.2797757100000000
   0.0000000000000000  0.3858922400000000  0.2797757100000000
   0.3858922400000000  0.0000000000000000  0.2797757100000000
   0.6141077600000000  0.6141077600000000  0.7202242900000000
   0.0000000000000000  0.3858922400000000  0.7202242900000000
   0.3858922400000000  0.0000000000000000  0.7202242900000000
   0.2635207000000000  0.2635207000000000  0.5000000000000000
   0.0000000000000000  0.7364793000000001  0.5000000000000000
   0.7364793000000001  0.0000000000000000  0.5000000000000000
   0.2281467100000000  0.2281467100000000  0.0000000000000000
   0.0000000000000000  0.7718532900000000  0.0000000000000000
   0.7718532900000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.0000000000000000