# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01621068
_cell_length_b   6.35190164
_cell_length_c   49.74381861
_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   1268.99342673
_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  0.752955  0.135398  0.303104  1
  Fe  Fe2  1  0.752955  0.871764  0.267390  1
  Fe  Fe3  1  0.752955  0.489430  0.284067  1
  Fe  Fe4  1  0.252955  0.115530  0.274287  1
  Fe  Fe5  1  0.252955  0.739895  0.291221  1
  Fe  Fe6  1  0.252955  0.381731  0.309429  1
  Fe  Fe7  1  0.752955  0.058866  0.352210  1
  Fe  Fe8  1  0.752955  0.776990  0.318219  1
  Fe  Fe9  1  0.752955  0.420522  0.335639  1
  Fe  Fe10  1  0.252955  0.017644  0.324972  1
  Fe  Fe11  1  0.252955  0.659811  0.341650  1
  Fe  Fe12  1  0.252955  0.298028  0.358511  1
  Fe  Fe13  1  0.752955  0.980735  0.402098  1
  Fe  Fe14  1  0.752955  0.700348  0.368751  1
  Fe  Fe15  1  0.752955  0.340602  0.385468  1
  Fe  Fe16  1  0.252955  0.938170  0.374976  1
  Fe  Fe17  1  0.252955  0.578672  0.391636  1
  Fe  Fe18  1  0.252955  0.218590  0.408295  1
  Fe  Fe19  1  0.752955  0.901590  0.452011  1
  Fe  Fe20  1  0.752955  0.621111  0.418726  1
  Fe  Fe21  1  0.752955  0.261357  0.435374  1
  Fe  Fe22  1  0.252955  0.858868  0.424915  1
  Fe  Fe23  1  0.252955  0.499114  0.441552  1
  Fe  Fe24  1  0.252955  0.139325  0.458194  1
  Fe  Fe25  1  0.752955  0.822333  0.501925  1
  Fe  Fe26  1  0.752955  0.541851  0.468647  1
  Fe  Fe27  1  0.752955  0.182089  0.485287  1
  Fe  Fe28  1  0.252955  0.779568  0.474829  1
  Fe  Fe29  1  0.252955  0.419812  0.491466  1
  Fe  Fe30  1  0.252955  0.060051  0.508107  1
  Fe  Fe31  1  0.752955  0.743034  0.551839  1
  Fe  Fe32  1  0.752955  0.462577  0.518559  1
  Fe  Fe33  1  0.752955  0.102787  0.535201  1
  Fe  Fe34  1  0.252955  0.700311  0.524743  1
  Fe  Fe35  1  0.252955  0.340544  0.541379  1
  Fe  Fe36  1  0.252955  0.980790  0.558028  1
  Fe  Fe37  1  0.752955  0.663731  0.601778  1
  Fe  Fe38  1  0.752955  0.383312  0.568458  1
  Fe  Fe39  1  0.752955  0.023230  0.585118  1
  Fe  Fe40  1  0.252955  0.621167  0.574656  1
  Fe  Fe41  1  0.252955  0.261299  0.591285  1
  Fe  Fe42  1  0.252955  0.901553  0.608002  1
  Fe  Fe43  1  0.752955  0.584257  0.651782  1
  Fe  Fe44  1  0.752955  0.303873  0.618243  1
  Fe  Fe45  1  0.752955  0.942091  0.635104  1
  Fe  Fe46  1  0.252955  0.543035  0.624544  1
  Fe  Fe47  1  0.252955  0.181380  0.641114  1
  Fe  Fe48  1  0.252955  0.824911  0.658535  1
  Fe  Fe49  1  0.752955  0.486372  0.702467  1
  Fe  Fe50  1  0.752955  0.220170  0.667325  1
  Fe  Fe51  1  0.752955  0.862006  0.685532  1
  Fe  Fe52  1  0.252955  0.466503  0.673649  1
  Fe  Fe53  1  0.252955  0.112471  0.692686  1
  Fe  Fe54  1  0.252955  0.730137  0.709363  1
