# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82846465
_cell_length_b   4.05910320
_cell_length_c   46.66626181
_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   Fe20
_cell_volume   535.776747114
_cell_formula_units_Z   20
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  0.504736  0.997394  0.301486  1
  Fe  Fe2  1  0.004736  0.497394  0.301486  1
  Fe  Fe3  1  0.504736  0.497394  0.345667  1
  Fe  Fe4  1  0.004736  0.997394  0.345667  1
  Fe  Fe5  1  0.504736  0.997394  0.389047  1
  Fe  Fe6  1  0.004736  0.497394  0.389047  1
  Fe  Fe7  1  0.504736  0.497394  0.432443  1
  Fe  Fe8  1  0.004736  0.997394  0.432443  1
  Fe  Fe9  1  0.504736  0.997394  0.475839  1
  Fe  Fe10  1  0.004736  0.497394  0.475839  1
  Fe  Fe11  1  0.504736  0.497394  0.519235  1
  Fe  Fe12  1  0.004736  0.997394  0.519235  1
  Fe  Fe13  1  0.504736  0.997394  0.562631  1
  Fe  Fe14  1  0.004736  0.497394  0.562631  1
  Fe  Fe15  1  0.504736  0.497394  0.606027  1
  Fe  Fe16  1  0.004736  0.997394  0.606027  1
  Fe  Fe17  1  0.504736  0.997394  0.649407  1
  Fe  Fe18  1  0.004736  0.497394  0.649407  1
  Fe  Fe19  1  0.504736  0.497394  0.693588  1
  Fe  Fe20  1  0.004736  0.997394  0.693588  1
