Fe2                                     
   1.0000000000000000     
    -2.8700000000000001    2.8700000000000001    2.8700000000000001
     1.4350000000000001   -1.4350000000000001    1.4350000000000001
     1.4350000000000001    1.4350000000000001   -1.4350000000000001
   Fe
     2
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.0000000000000000

  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
