# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45081670
_cell_length_b   4.69725689
_cell_length_c   45.92588151
_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   528.704058632
_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  0.363806  0.264375  0.308535  1
  Fe  Fe2  1  0.051047  0.764375  0.308535  1
  Fe  Fe3  1  0.831328  0.039681  0.351737  1
  Fe  Fe4  1  0.583525  0.539681  0.351737  1
  Fe  Fe5  1  0.332787  0.817230  0.394642  1
  Fe  Fe6  1  0.082066  0.317230  0.394642  1
  Fe  Fe7  1  0.832693  0.594833  0.437563  1
  Fe  Fe8  1  0.582160  0.094833  0.437563  1
  Fe  Fe9  1  0.332829  0.371949  0.480594  1
  Fe  Fe10  1  0.082024  0.871949  0.480594  1
  Fe  Fe11  1  0.582024  0.095391  0.523738  1
  Fe  Fe12  1  0.832829  0.595391  0.523738  1
  Fe  Fe13  1  0.082160  0.872507  0.566769  1
  Fe  Fe14  1  0.332693  0.372507  0.566769  1
  Fe  Fe15  1  0.582066  0.650110  0.609691  1
  Fe  Fe16  1  0.832787  0.150110  0.609691  1
  Fe  Fe17  1  0.083525  0.427659  0.652595  1
  Fe  Fe18  1  0.331328  0.927659  0.652595  1
  Fe  Fe19  1  0.551047  0.202965  0.695797  1
  Fe  Fe20  1  0.863806  0.702965  0.695797  1
