# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07129582
_cell_length_b   4.66844649
_cell_length_c   43.70971288
_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   830.774194034
_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  0.761821  0.273356  0.321434  1
  Fe  Fe2  1  0.261821  0.556988  0.333979  1
  Fe  Fe3  1  0.761821  0.813147  0.348519  1
  Fe  Fe4  1  0.261821  0.092120  0.360832  1
  Fe  Fe5  1  0.761821  0.360464  0.376447  1
  Fe  Fe6  1  0.261821  0.634170  0.389818  1
  Fe  Fe7  1  0.761821  0.904004  0.403842  1
  Fe  Fe8  1  0.261821  0.175531  0.417429  1
  Fe  Fe9  1  0.761821  0.447344  0.431915  1
  Fe  Fe10  1  0.261821  0.719162  0.445683  1
  Fe  Fe11  1  0.761821  -0.009898  0.459660  1
  Fe  Fe12  1  0.261821  0.261636  0.473515  1
  Fe  Fe13  1  0.761821  0.533209  0.487660  1
  Fe  Fe14  1  0.261821  0.804797  0.501551  1
  Fe  Fe15  1  0.761821  0.076035  0.515522  1
  Fe  Fe16  1  0.261821  0.347562  0.529438  1
  Fe  Fe17  1  0.761821  0.619091  0.543506  1
  Fe  Fe18  1  0.261821  0.890618  0.557422  1
  Fe  Fe19  1  0.761821  0.161855  0.571392  1
  Fe  Fe20  1  0.261821  0.433443  0.585284  1
  Fe  Fe21  1  0.761821  0.705017  0.599428  1
  Fe  Fe22  1  0.261821  0.976551  0.613283  1
  Fe  Fe23  1  0.761821  0.247491  0.627261  1
  Fe  Fe24  1  0.261821  0.519309  0.641029  1
  Fe  Fe25  1  0.761821  0.791122  0.655514  1
  Fe  Fe26  1  0.261821  0.062649  0.669102  1
  Fe  Fe27  1  0.761821  0.332483  0.683126  1
  Fe  Fe28  1  0.261821  0.606189  0.696497  1
  Fe  Fe29  1  0.761821  0.874533  0.712111  1
  Fe  Fe30  1  0.261821  0.153506  0.724424  1
  Fe  Fe31  1  0.761821  0.409665  0.738965  1
  Fe  Fe32  1  0.261821  0.693296  0.751509  1
