MgO
     4.211
       0.0000000000      0.5000000000      0.5000000000
       0.5000000000      0.0000000000      0.5000000000
       0.5000000000      0.5000000000      0.0000000000
Mg O
1 1
Direct
       0.0      0.0      0.0
       0.5      0.5      0.5
