# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62487336
_cell_length_b   5.13837580
_cell_length_c   46.94797757
_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   Fe32
_cell_volume   874.451225298
_cell_formula_units_Z   32
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  0.004625  0.378444  0.288526  1
  Fe  Fe2  1  0.504625  0.628444  0.315006  1
  Fe  Fe3  1  0.504625  0.128444  0.315006  1
  Fe  Fe4  1  0.004625  0.878444  0.288526  1
  Fe  Fe5  1  0.004625  0.878444  0.342864  1
  Fe  Fe6  1  0.504625  0.128444  0.370504  1
  Fe  Fe7  1  0.504625  0.628444  0.370504  1
  Fe  Fe8  1  0.004625  0.378444  0.342864  1
  Fe  Fe9  1  0.004625  0.378444  0.398437  1
  Fe  Fe10  1  0.504625  0.628444  0.426257  1
  Fe  Fe11  1  0.504625  0.128444  0.426257  1
  Fe  Fe12  1  0.004625  0.878444  0.398437  1
  Fe  Fe13  1  0.004625  0.878444  0.454131  1
  Fe  Fe14  1  0.504625  0.128444  0.481978  1
  Fe  Fe15  1  0.504625  0.628444  0.481978  1
  Fe  Fe16  1  0.004625  0.378444  0.454131  1
  Fe  Fe17  1  0.004625  0.378444  0.509841  1
  Fe  Fe18  1  0.504625  0.628444  0.537687  1
  Fe  Fe19  1  0.504625  0.128444  0.537687  1
  Fe  Fe20  1  0.004625  0.878444  0.509841  1
  Fe  Fe21  1  0.004625  0.878444  0.565562  1
  Fe  Fe22  1  0.504625  0.128444  0.593381  1
  Fe  Fe23  1  0.504625  0.628444  0.593381  1
  Fe  Fe24  1  0.004625  0.378444  0.565562  1
  Fe  Fe25  1  0.004625  0.378444  0.621314  1
  Fe  Fe26  1  0.504625  0.628444  0.648955  1
  Fe  Fe27  1  0.504625  0.128444  0.648955  1
  Fe  Fe28  1  0.004625  0.878444  0.621314  1
  Fe  Fe29  1  0.004625  0.878444  0.676813  1
  Fe  Fe30  1  0.504625  0.128444  0.703293  1
  Fe  Fe31  1  0.504625  0.628444  0.703293  1
  Fe  Fe32  1  0.004625  0.378444  0.676813  1
