# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82431369
_cell_length_b   10.38254266
_cell_length_c   47.92770797
_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   Fe54
_cell_volume   1405.41089642
_cell_formula_units_Z   54
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  0.507468  0.175182  0.320079  1
  Fe  Fe2  1  0.507468  0.956670  0.285153  1
  Fe  Fe3  1  0.507468  0.563682  0.301581  1
  Fe  Fe4  1  1.007468  0.366802  0.309275  1
  Fe  Fe5  1  1.007468  0.154454  0.278168  1
  Fe  Fe6  1  1.007468  0.759607  0.293251  1
  Fe  Fe7  1  0.507468  0.023488  0.368599  1
  Fe  Fe8  1  0.507468  0.792979  0.334661  1
  Fe  Fe9  1  0.507468  0.408558  0.351024  1
  Fe  Fe10  1  1.007468  0.217252  0.360798  1
  Fe  Fe11  1  1.007468  0.984644  0.326723  1
  Fe  Fe12  1  1.007468  0.600670  0.342811  1
  Fe  Fe13  1  0.507468  0.869490  0.418269  1
  Fe  Fe14  1  0.507468  0.638714  0.384664  1
  Fe  Fe15  1  0.507468  0.255001  0.402144  1
  Fe  Fe16  1  1.007468  0.062166  0.410247  1
  Fe  Fe17  1  1.007468  0.830947  0.376503  1
  Fe  Fe18  1  1.007468  0.446757  0.393072  1
  Fe  Fe19  1  0.507468  0.715521  0.468237  1
  Fe  Fe20  1  0.507468  0.485084  0.434944  1
  Fe  Fe21  1  0.507468  0.100527  0.451906  1
  Fe  Fe22  1  1.007468  0.907922  0.459997  1
  Fe  Fe23  1  1.007468  0.677132  0.426474  1
  Fe  Fe24  1  1.007468  0.293108  0.443683  1
  Fe  Fe25  1  0.507468  0.561766  0.518532  1
  Fe  Fe26  1  0.507468  0.331351  0.485329  1
  Fe  Fe27  1  0.507468  0.946305  0.501697  1
  Fe  Fe28  1  1.007468  0.753844  0.509950  1
  Fe  Fe29  1  1.007468  0.523428  0.476747  1
  Fe  Fe30  1  1.007468  0.138890  0.493582  1
  Fe  Fe31  1  0.507468  0.408062  0.568805  1
  Fe  Fe32  1  0.507468  0.177273  0.535283  1
  Fe  Fe33  1  0.507468  0.792086  0.551596  1
  Fe  Fe34  1  1.007468  0.600111  0.560335  1
  Fe  Fe35  1  1.007468  0.369674  0.527042  1
  Fe  Fe36  1  1.007468  0.984668  0.543373  1
  Fe  Fe37  1  0.507468  0.254247  0.618776  1
  Fe  Fe38  1  0.507468  0.023028  0.585032  1
  Fe  Fe39  1  0.507468  0.638438  0.602207  1
  Fe  Fe40  1  1.007468  0.446480  0.610615  1
  Fe  Fe41  1  1.007468  0.215705  0.577010  1
  Fe  Fe42  1  1.007468  0.830194  0.593135  1
  Fe  Fe43  1  0.507468  0.100550  0.668556  1
  Fe  Fe44  1  0.507468  0.867942  0.634481  1
  Fe  Fe45  1  0.507468  0.484524  0.652468  1
  Fe  Fe46  1  1.007468  0.292216  0.660618  1
  Fe  Fe47  1  1.007468  0.061706  0.626680  1
  Fe  Fe48  1  1.007468  0.676637  0.644255  1
  Fe  Fe49  1  0.507468  0.930740  0.717111  1
  Fe  Fe50  1  0.507468  0.718393  0.686004  1
  Fe  Fe51  1  0.507468  0.325587  0.702028  1
  Fe  Fe52  1  1.007468  0.128525  0.710126  1
  Fe  Fe53  1  1.007468  0.910013  0.675200  1
  Fe  Fe54  1  1.007468  0.521512  0.693698  1
