Fe2 O2                                  
   1.00000000000000     
    -2.0055919881462536    0.0000001047997919   -1.1532598317463847
     0.6966202013045938    2.9999646227420214    1.1090891455451140
     3.0959449103942855    0.6754747384038905   -5.3840470751777438
   Fe   O 
     2     2
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.5000000000000000
  0.0067390638609813  0.0134781294116716  0.6985384627769476
  0.9932609361390189  0.9865218705883284  0.3014615372230524
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
