Fe primitive
   1.0000000000000000     
     1.3704630709330001    1.3704630709330003   -1.3704630709329997
    -1.3704630709330001    1.3704630709329997    1.3704630709329997
     1.3704630709330001   -1.3704630709329997    1.3704630709330003
  Fe            
     1
Direct
     0.0000000000000000    0.0000000000000000    0.0000000000000000
