title   Cubic Spinel, MgAl2O4
Space  f d 3 m
a=8.0800   !from Wyckoff
rmax=7    core=mg
atom
! At.type  x        y       z      
   Mg     0.125    0.125   0.125   
   Al     0.5      0.5     0.5
   O      0.262    0.262   0.262
! u=0.387 in wyckoff, wyckoff referenced to (-1/8,-1/8,-1/8)
! from center, .262=.387-.125
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