 Mg Ca As
   1.0
     4.3361793500000001    0.0000000000000000    0.0000000000000000
    -2.1680896600000001    3.7552414700000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.0247261999999999
 Mg Ca As
   2   1   2
Direct
   0.6666666700000000  0.3333333300000000  0.6347761000000001
   0.3333333300000000  0.6666666700000000  0.3652239000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.7536532900000000
   0.6666666700000000  0.3333333300000000  0.2463467100000000