# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47378702
_cell_length_b   5.09780363
_cell_length_c   45.78035462
_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   810.709835704
_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  0.512698  0.369079  0.287159  1
  Fe  Fe2  1  0.012698  0.619079  0.314862  1
  Fe  Fe3  1  0.012698  0.119079  0.314862  1
  Fe  Fe4  1  0.512698  0.869079  0.287159  1
  Fe  Fe5  1  0.512698  0.869079  0.341919  1
  Fe  Fe6  1  0.012698  0.119079  0.370012  1
  Fe  Fe7  1  0.012698  0.619079  0.370012  1
  Fe  Fe8  1  0.512698  0.369079  0.341919  1
  Fe  Fe9  1  0.512698  0.369079  0.397746  1
  Fe  Fe10  1  1.012698  0.619079  0.425607  1
  Fe  Fe11  1  1.012698  0.119079  0.425607  1
  Fe  Fe12  1  0.512698  0.869079  0.397746  1
  Fe  Fe13  1  0.512698  0.869079  0.453416  1
  Fe  Fe14  1  1.012698  0.119079  0.481248  1
  Fe  Fe15  1  0.012698  0.619079  0.481248  1
  Fe  Fe16  1  0.512698  0.369079  0.453416  1
  Fe  Fe17  1  0.512698  0.369079  0.509067  1
  Fe  Fe18  1  1.012698  0.619079  0.536899  1
  Fe  Fe19  1  1.012698  0.119079  0.536899  1
  Fe  Fe20  1  0.512698  0.869079  0.509067  1
  Fe  Fe21  1  0.512698  0.869079  0.564707  1
  Fe  Fe22  1  1.012698  0.119079  0.592569  1
  Fe  Fe23  1  1.012698  0.619079  0.592569  1
  Fe  Fe24  1  0.512698  0.369079  0.564707  1
  Fe  Fe25  1  0.512698  0.369079  0.620303  1
  Fe  Fe26  1  1.012698  0.619079  0.648396  1
  Fe  Fe27  1  1.012698  0.119079  0.648396  1
  Fe  Fe28  1  0.512698  0.869079  0.620303  1
  Fe  Fe29  1  0.512698  0.869079  0.675453  1
  Fe  Fe30  1  1.012698  0.119079  0.703156  1
  Fe  Fe31  1  1.012698  0.619079  0.703156  1
  Fe  Fe32  1  0.512698  0.369079  0.675453  1
