# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63925999
_cell_length_b   5.13598629
_cell_length_c   46.96793871
_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   877.886637075
_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  1.002615  0.378663  0.286944  1
  Fe  Fe2  1  0.502615  0.628663  0.314804  1
  Fe  Fe3  1  0.502615  0.128663  0.314804  1
  Fe  Fe4  1  0.002615  0.878663  0.286944  1
  Fe  Fe5  1  0.002615  0.878663  0.343386  1
  Fe  Fe6  1  0.502615  0.128663  0.370910  1
  Fe  Fe7  1  0.502615  0.628663  0.370910  1
  Fe  Fe8  1  1.002615  0.378663  0.343386  1
  Fe  Fe9  1  1.002615  0.378663  0.398717  1
  Fe  Fe10  1  0.502615  0.628663  0.426406  1
  Fe  Fe11  1  0.502615  0.128663  0.426406  1
  Fe  Fe12  1  1.002615  0.878663  0.398717  1
  Fe  Fe13  1  1.002615  0.878663  0.454120  1
  Fe  Fe14  1  0.502615  0.128663  0.481830  1
  Fe  Fe15  1  0.502615  0.628663  0.481830  1
  Fe  Fe16  1  1.002615  0.378663  0.454120  1
  Fe  Fe17  1  1.002615  0.378663  0.509538  1
  Fe  Fe18  1  0.502615  0.628663  0.537248  1
  Fe  Fe19  1  0.502615  0.128663  0.537248  1
  Fe  Fe20  1  1.002615  0.878663  0.509538  1
  Fe  Fe21  1  1.002615  0.878663  0.564962  1
  Fe  Fe22  1  0.502615  0.128663  0.592651  1
  Fe  Fe23  1  0.502615  0.628663  0.592651  1
  Fe  Fe24  1  1.002615  0.378663  0.564962  1
  Fe  Fe25  1  1.002615  0.378663  0.620458  1
  Fe  Fe26  1  0.502615  0.628663  0.647982  1
  Fe  Fe27  1  0.502615  0.128663  0.647982  1
  Fe  Fe28  1  1.002615  0.878663  0.620458  1
  Fe  Fe29  1  1.002615  0.878663  0.676564  1
  Fe  Fe30  1  0.502615  0.128663  0.704424  1
  Fe  Fe31  1  0.502615  0.628663  0.704424  1
  Fe  Fe32  1  1.002615  0.378663  0.676564  1
