# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82950799
_cell_length_b   9.03822388
_cell_length_c   49.27108463
_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   Fe48
_cell_volume   1260.04525138
_cell_formula_units_Z   48
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  0.506439  0.997925  0.285277  1
  Fe  Fe2  1  0.506439  0.589536  0.321396  1
  Fe  Fe3  1  0.506439  0.288312  0.300879  1
  Fe  Fe4  1  1.006439  0.089536  0.321396  1
  Fe  Fe5  1  1.006439  0.788312  0.300879  1
  Fe  Fe6  1  1.006439  0.497925  0.285277  1
  Fe  Fe7  1  0.506439  0.886787  0.338404  1
  Fe  Fe8  1  0.506439  0.486931  0.375884  1
  Fe  Fe9  1  0.506439  0.188972  0.357797  1
  Fe  Fe10  1  1.006439  0.986931  0.375884  1
  Fe  Fe11  1  1.006439  0.688972  0.357797  1
  Fe  Fe12  1  1.006439  0.386787  0.338404  1
  Fe  Fe13  1  0.506439  0.787397  0.394717  1
  Fe  Fe14  1  0.506439  0.386333  0.431751  1
  Fe  Fe15  1  0.506439  0.086448  0.413095  1
  Fe  Fe16  1  1.006439  0.886333  0.431751  1
  Fe  Fe17  1  1.006439  0.586448  0.413095  1
  Fe  Fe18  1  1.006439  0.287397  0.394717  1
  Fe  Fe19  1  0.506439  0.685704  0.450237  1
  Fe  Fe20  1  0.506439  0.284875  0.487349  1
  Fe  Fe21  1  0.506439  0.985400  0.468829  1
  Fe  Fe22  1  1.006439  0.784875  0.487349  1
  Fe  Fe23  1  1.006439  0.485400  0.468829  1
  Fe  Fe24  1  1.006439  0.185704  0.450237  1
  Fe  Fe25  1  0.506439  0.584524  0.505927  1
  Fe  Fe26  1  0.506439  0.183695  0.543039  1
  Fe  Fe27  1  0.506439  0.883999  0.524447  1
  Fe  Fe28  1  1.006439  0.683695  0.543039  1
  Fe  Fe29  1  1.006439  0.383999  0.524447  1
  Fe  Fe30  1  1.006439  0.084524  0.505927  1
  Fe  Fe31  1  0.506439  0.483066  0.561525  1
  Fe  Fe32  1  0.506439  0.082002  0.598559  1
  Fe  Fe33  1  0.506439  0.782951  0.580181  1
  Fe  Fe34  1  1.006439  0.582002  0.598559  1
  Fe  Fe35  1  1.006439  0.282951  0.580181  1
  Fe  Fe36  1  1.006439  0.983066  0.561525  1
  Fe  Fe37  1  0.506439  0.382468  0.617392  1
  Fe  Fe38  1  0.506439  0.982612  0.654872  1
  Fe  Fe39  1  0.506439  0.680427  0.635479  1
  Fe  Fe40  1  1.006439  0.482612  0.654872  1
  Fe  Fe41  1  1.006439  0.180427  0.635479  1
  Fe  Fe42  1  1.006439  0.882468  0.617392  1
  Fe  Fe43  1  0.506439  0.279863  0.671880  1
  Fe  Fe44  1  0.506439  0.871475  0.707999  1
  Fe  Fe45  1  0.506439  0.581087  0.692397  1
  Fe  Fe46  1  1.006439  0.371475  0.707999  1
  Fe  Fe47  1  1.006439  0.081087  0.692397  1
  Fe  Fe48  1  1.006439  0.779863  0.671880  1
