# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45038359
_cell_length_b   4.69553158
_cell_length_c   45.89636052
_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   528.076801332
_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  0.764032  0.303369  0.308375  1
  Fe  Fe2  1  0.450983  0.803369  0.308375  1
  Fe  Fe3  1  0.231239  0.078540  0.351622  1
  Fe  Fe4  1  -0.016224  0.578540  0.351622  1
  Fe  Fe5  1  0.732960  0.855565  0.394675  1
  Fe  Fe6  1  0.482054  0.355565  0.394675  1
  Fe  Fe7  1  -0.017822  0.579006  0.437855  1
  Fe  Fe8  1  0.232837  0.079006  0.437855  1
  Fe  Fe9  1  0.482177  0.355568  0.481032  1
  Fe  Fe10  1  0.732838  0.855568  0.481032  1
  Fe  Fe11  1  0.232944  0.079010  0.524212  1
  Fe  Fe12  1  -0.017929  0.579010  0.524212  1
  Fe  Fe13  1  0.732804  0.856119  0.567280  1
  Fe  Fe14  1  0.482211  0.356119  0.567280  1
  Fe  Fe15  1  0.232896  0.633714  0.610239  1
  Fe  Fe16  1  -0.017882  0.133714  0.610239  1
  Fe  Fe17  1  0.731411  0.411252  0.653181  1
  Fe  Fe18  1  0.483603  0.911252  0.653181  1
  Fe  Fe19  1  0.264005  0.186517  0.696422  1
  Fe  Fe20  1  0.951010  0.686517  0.696422  1
