# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82795138
_cell_length_b   6.40862710
_cell_length_c   46.37270770
_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   Fe32
_cell_volume   840.425838918
_cell_formula_units_Z   32
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  0.506718  0.079218  0.324988  1
  Fe  Fe2  1  0.506718  0.689603  0.295740  1
  Fe  Fe3  1  1.006718  0.376816  0.308637  1
  Fe  Fe4  1  1.006718  0.995380  0.284188  1
  Fe  Fe5  1  0.506718  0.877429  0.379233  1
  Fe  Fe6  1  0.506718  0.477321  0.350647  1
  Fe  Fe7  1  1.006718  0.180024  0.365847  1
  Fe  Fe8  1  1.006718  0.777647  0.337360  1
  Fe  Fe9  1  0.506718  0.676206  0.434744  1
  Fe  Fe10  1  0.506718  0.277900  0.407282  1
  Fe  Fe11  1  1.006718  0.976728  0.420980  1
  Fe  Fe12  1  1.006718  0.576780  0.392809  1
  Fe  Fe13  1  0.506718  0.475290  0.490573  1
  Fe  Fe14  1  0.506718  0.075748  0.462712  1
  Fe  Fe15  1  1.006718  0.775408  0.476590  1
  Fe  Fe16  1  1.006718  0.376477  0.448889  1
  Fe  Fe17  1  0.506718  0.273496  0.546111  1
  Fe  Fe18  1  0.506718  0.874565  0.518411  1
  Fe  Fe19  1  1.006718  0.574225  0.532288  1
  Fe  Fe20  1  1.006718  0.174683  0.504428  1
  Fe  Fe21  1  0.506718  0.073193  0.602191  1
  Fe  Fe22  1  0.506718  0.673245  0.574021  1
  Fe  Fe23  1  1.006718  0.372073  0.587719  1
  Fe  Fe24  1  1.006718  0.973767  0.560257  1
  Fe  Fe25  1  0.506718  0.872326  0.657640  1
  Fe  Fe26  1  0.506718  0.469949  0.629153  1
  Fe  Fe27  1  1.006718  0.172652  0.644353  1
  Fe  Fe28  1  1.006718  0.772544  0.615768  1
  Fe  Fe29  1  0.506718  0.654593  0.710813  1
  Fe  Fe30  1  0.506718  0.273158  0.686364  1
  Fe  Fe31  1  1.006718  0.960370  0.699260  1
  Fe  Fe32  1  1.006718  0.570755  0.670013  1
