 H O Mg
   1.0
     3.1481303399999998    0.0000000000000000    0.0000000000000000
    -1.5740651699999999    2.7263608399999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.5518682200000002
 H O Mg
   2   2   1
Direct
   0.6666666700000000  0.3333333300000000  0.4434259300000000
   0.3333333300000000  0.6666666700000000  0.5565740699999999
   0.6666666700000000  0.3333333300000000  0.2287076100000000
   0.3333333300000000  0.6666666700000000  0.7712923899999999
   0.0000000000000000  0.0000000000000000  0.0000000000000000