# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53959984
_cell_length_b   10.32371740
_cell_length_c   48.75284897
_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   1278.20760785
_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  0.564452  0.159778  0.313489  1
  Fe  Fe2  1  0.564452  0.966305  0.278813  1
  Fe  Fe3  1  0.564452  0.561249  0.295966  1
  Fe  Fe4  1  1.064452  0.354613  0.293089  1
  Fe  Fe5  1  1.064452  0.161154  0.266909  1
  Fe  Fe6  1  1.064452  0.763681  0.287305  1
  Fe  Fe7  1  0.564452  0.034077  0.357538  1
  Fe  Fe8  1  0.564452  0.762737  0.330323  1
  Fe  Fe9  1  0.564452  0.380546  0.334826  1
  Fe  Fe10  1  1.064452  0.225817  0.358371  1
  Fe  Fe11  1  1.064452  0.953492  0.320567  1
  Fe  Fe12  1  1.064452  0.571193  0.337145  1
  Fe  Fe13  1  0.564452  0.889843  0.414270  1
  Fe  Fe14  1  0.564452  0.640620  0.375178  1
  Fe  Fe15  1  0.564452  0.270556  0.400637  1
  Fe  Fe16  1  1.064452  0.069668  0.398035  1
  Fe  Fe17  1  1.064452  0.845582  0.370915  1
  Fe  Fe18  1  1.064452  0.441760  0.379133  1
  Fe  Fe19  1  0.564452  0.717871  0.453705  1
  Fe  Fe20  1  0.564452  0.501384  0.422189  1
  Fe  Fe21  1  0.564452  0.108421  0.439320  1
  Fe  Fe22  1  1.064452  0.920913  0.456213  1
  Fe  Fe23  1  1.064452  0.695976  0.413525  1
  Fe  Fe24  1  1.064452  0.313637  0.442078  1
  Fe  Fe25  1  0.564452  0.561918  0.511170  1
  Fe  Fe26  1  0.564452  0.342020  0.484039  1
  Fe  Fe27  1  0.564452  0.951242  0.497901  1
  Fe  Fe28  1  1.064452  0.749009  0.494554  1
  Fe  Fe29  1  1.064452  0.529111  0.467423  1
  Fe  Fe30  1  1.064452  0.139788  0.480692  1
  Fe  Fe31  1  0.564452  0.395053  0.565068  1
  Fe  Fe32  1  0.564452  0.170116  0.522380  1
  Fe  Fe33  1  0.564452  0.777392  0.536515  1
  Fe  Fe34  1  1.064452  0.589646  0.556404  1
  Fe  Fe35  1  1.064452  0.373159  0.524888  1
  Fe  Fe36  1  1.064452  0.982609  0.539273  1
  Fe  Fe37  1  0.564452  0.245448  0.607678  1
  Fe  Fe38  1  0.564452  0.021362  0.580558  1
  Fe  Fe39  1  0.564452  0.649269  0.599460  1
  Fe  Fe40  1  1.064452  0.450409  0.603415  1
  Fe  Fe41  1  1.064452  0.201187  0.564323  1
  Fe  Fe42  1  1.064452  0.820473  0.577956  1
  Fe  Fe43  1  0.564452  0.137538  0.658026  1
  Fe  Fe44  1  0.564452  0.865213  0.620222  1
  Fe  Fe45  1  0.564452  0.519836  0.641448  1
  Fe  Fe46  1  1.064452  0.328292  0.648270  1
  Fe  Fe47  1  1.064452  0.056952  0.621055  1
  Fe  Fe48  1  1.064452  0.710483  0.643766  1
  Fe  Fe49  1  0.564452  0.929876  0.711684  1
  Fe  Fe50  1  0.564452  0.736416  0.685504  1
  Fe  Fe51  1  0.564452  0.327348  0.691288  1
  Fe  Fe52  1  1.064452  0.124725  0.699780  1
  Fe  Fe53  1  1.064452  0.931251  0.665104  1
  Fe  Fe54  1  1.064452  0.529780  0.682627  1
