 Mg Be As
   1.0
     3.7648356700000001    0.0000000000000000    0.0000000000000000
    -1.8824178400000000    3.2604433300000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.3938377700000002
 Mg Be As
   1   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.3750206500000000
   0.3333333300000000  0.6666666700000000  0.6249793500000000
   0.3333333300000000  0.6666666700000000  0.2637281400000000
   0.6666666700000000  0.3333333300000000  0.7362718600000000