Fe primitive                          
   1.0000000000000000     
     1.4299999999999999    1.4300000000000002   -1.4299999999999997
    -1.4299999999999999    1.4299999999999997    1.4299999999999997
     1.4299999999999999   -1.4299999999999997    1.4300000000000002
  Fe            
     1
Direct
     0.0000000000000000    0.0000000000000000    0.0000000000000000
