title Al2O3 
Space  R -3 C
a=4.7628   c=13.0032  gamma=120
rmax=7  out=al2o3.inp  core=al
atom
! At.type  x        y       z      tag
   Al     0.0      0.0     0.352    
   O      0.306    0.0     0.25     
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