# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39573598
_cell_length_b   7.41481852
_cell_length_c   47.78345756
_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   Fe30
_cell_volume   848.82283158
_cell_formula_units_Z   30
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  0.066439  0.146400  0.322536  1
  Fe  Fe2  1  0.421594  0.815540  0.321997  1
  Fe  Fe3  1  0.776750  0.484681  0.322536  1
  Fe  Fe4  1  0.690209  0.981514  0.364090  1
  Fe  Fe5  1  0.152980  0.649566  0.364090  1
  Fe  Fe6  1  0.421594  0.315540  0.363175  1
  Fe  Fe7  1  0.921594  0.815540  0.406777  1
  Fe  Fe8  1  0.652295  0.481734  0.405879  1
  Fe  Fe9  1  0.190893  0.149346  0.405879  1
  Fe  Fe10  1  0.269247  0.647167  0.448031  1
  Fe  Fe11  1  0.921594  0.315540  0.448340  1
  Fe  Fe12  1  0.573942  0.983913  0.448031  1
  Fe  Fe13  1  0.590181  0.482141  0.490169  1
  Fe  Fe14  1  0.253008  0.148940  0.490169  1
  Fe  Fe15  1  0.921594  0.815540  0.489852  1
  Fe  Fe16  1  0.921594  0.315540  0.532062  1
  Fe  Fe17  1  0.588729  0.981932  0.531957  1
  Fe  Fe18  1  0.254459  0.649149  0.531957  1
  Fe  Fe19  1  0.255346  0.148738  0.573921  1
  Fe  Fe20  1  0.921594  0.815540  0.573918  1
  Fe  Fe21  1  0.587843  0.482342  0.573921  1
  Fe  Fe22  1  0.588374  0.982186  0.615853  1
  Fe  Fe23  1  0.254815  0.648895  0.615853  1
  Fe  Fe24  1  0.921594  0.315540  0.615840  1
  Fe  Fe25  1  0.921594  0.815540  0.657795  1
  Fe  Fe26  1  0.588271  0.482198  0.657788  1
  Fe  Fe27  1  0.254918  0.148883  0.657788  1
  Fe  Fe28  1  0.254963  0.648864  0.699187  1
  Fe  Fe29  1  0.921594  0.315540  0.699185  1
  Fe  Fe30  1  0.588226  0.982216  0.699187  1
