# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44821917
_cell_length_b   4.70229215
_cell_length_c   45.88100114
_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   528.193178732
_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  0.102638  1.008102  0.307751  1
  Fe  Fe2  1  0.411282  0.508102  0.307751  1
  Fe  Fe3  1  0.632642  0.784129  0.350926  1
  Fe  Fe4  1  0.881278  0.284129  0.350926  1
  Fe  Fe5  1  0.131578  0.561103  0.393913  1
  Fe  Fe6  1  0.382342  0.061103  0.393913  1
  Fe  Fe7  1  0.631609  0.338108  0.436916  1
  Fe  Fe8  1  0.882311  0.838108  0.436916  1
  Fe  Fe9  1  0.131554  0.115078  0.479922  1
  Fe  Fe10  1  0.382367  0.615078  0.479922  1
  Fe  Fe11  1  0.631410  0.891575  0.523043  1
  Fe  Fe12  1  0.882511  0.391575  0.523043  1
  Fe  Fe13  1  0.382512  0.615601  0.566284  1
  Fe  Fe14  1  0.131408  0.115601  0.566284  1
  Fe  Fe15  1  0.882380  0.392101  0.609406  1
  Fe  Fe16  1  0.631540  0.892101  0.609406  1
  Fe  Fe17  1  0.381256  0.169042  0.652395  1
  Fe  Fe18  1  0.132664  0.669042  0.652395  1
  Fe  Fe19  1  0.911283  0.945065  0.695570  1
  Fe  Fe20  1  0.602637  0.445065  0.695570  1
