# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44820108
_cell_length_b   4.70232724
_cell_length_c   45.90797926
_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   528.503794973
_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  0.552643  0.263503  0.307522  1
  Fe  Fe2  1  0.861283  0.763503  0.307522  1
  Fe  Fe3  1  0.082646  0.039531  0.350672  1
  Fe  Fe4  1  0.331281  0.539531  0.350672  1
  Fe  Fe5  1  0.581602  0.816503  0.393633  1
  Fe  Fe6  1  0.832325  0.316503  0.393633  1
  Fe  Fe7  1  0.081556  0.593477  0.436614  1
  Fe  Fe8  1  0.332371  0.093477  0.436614  1
  Fe  Fe9  1  0.581413  0.369973  0.479710  1
  Fe  Fe10  1  0.832513  0.869973  0.479710  1
  Fe  Fe11  1  0.332513  0.094000  0.522925  1
  Fe  Fe12  1  0.081413  0.594000  0.522925  1
  Fe  Fe13  1  0.832371  0.870496  0.566022  1
  Fe  Fe14  1  0.581556  0.370496  0.566022  1
  Fe  Fe15  1  0.332325  0.647470  0.609002  1
  Fe  Fe16  1  0.081602  0.147470  0.609002  1
  Fe  Fe17  1  0.831281  0.424442  0.651964  1
  Fe  Fe18  1  0.582646  0.924442  0.651964  1
  Fe  Fe19  1  0.361283  0.200470  0.695114  1
  Fe  Fe20  1  0.052643  0.700470  0.695114  1
