# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59187033
_cell_length_b   6.18519027
_cell_length_c   49.49455227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe28
_cell_volume   793.457616387
_cell_formula_units_Z   28
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.501990  0.327788  0.287284  1
  Fe  Fe2  1  0.001990  0.060424  0.317207  1
  Fe  Fe3  1  0.001990  0.648481  0.307111  1
  Fe  Fe4  1  0.501990  0.384086  0.338086  1
  Fe  Fe5  1  0.501990  0.795990  0.348382  1
  Fe  Fe6  1  0.001990  0.531045  0.379774  1
  Fe  Fe7  1  0.001990  0.119353  0.369251  1
  Fe  Fe8  1  0.501990  0.854795  0.400564  1
  Fe  Fe9  1  0.501990  0.265859  0.411059  1
  Fe  Fe10  1  0.001990  0.000906  0.442382  1
  Fe  Fe11  1  0.001990  0.589853  0.431875  1
  Fe  Fe12  1  0.501990  0.324903  0.463179  1
  Fe  Fe13  1  0.501990  0.735932  0.473695  1
  Fe  Fe14  1  0.001990  0.470952  0.505006  1
  Fe  Fe15  1  0.001990  0.059955  0.494492  1
  Fe  Fe16  1  0.501990  0.794975  0.525802  1
  Fe  Fe17  1  0.501990  0.206004  0.536319  1
  Fe  Fe18  1  0.001990  0.941054  0.567623  1
  Fe  Fe19  1  0.001990  0.530001  0.557116  1
  Fe  Fe20  1  0.501990  0.265048  0.588438  1
  Fe  Fe21  1  0.501990  0.676112  0.598933  1
  Fe  Fe22  1  0.001990  0.411554  0.630247  1
  Fe  Fe23  1  0.001990  0.999862  0.619724  1
  Fe  Fe24  1  0.501990  0.734917  0.651116  1
  Fe  Fe25  1  0.501990  0.146821  0.661412  1
  Fe  Fe26  1  0.001990  0.882426  0.692387  1
  Fe  Fe27  1  0.001990  0.470483  0.682290  1
  Fe  Fe28  1  0.501990  0.203119  0.712214  1
