# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82537718
_cell_length_b   6.38316468
_cell_length_c   46.20559520
_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   833.310879478
_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  0.505300  0.077235  0.325155  1
  Fe  Fe2  1  0.505300  0.685524  0.295637  1
  Fe  Fe3  1  0.005300  0.375254  0.308787  1
  Fe  Fe4  1  0.005300  0.997340  0.283071  1
  Fe  Fe5  1  0.505300  0.876733  0.379344  1
  Fe  Fe6  1  0.505300  0.476797  0.350941  1
  Fe  Fe7  1  0.005300  0.179173  0.365885  1
  Fe  Fe8  1  0.005300  0.776453  0.337514  1
  Fe  Fe9  1  0.505300  0.675995  0.434810  1
  Fe  Fe10  1  0.505300  0.277323  0.407306  1
  Fe  Fe11  1  0.005300  0.976365  0.421030  1
  Fe  Fe12  1  0.005300  0.576389  0.392968  1
  Fe  Fe13  1  0.505300  0.475353  0.490522  1
  Fe  Fe14  1  0.505300  0.075663  0.462709  1
  Fe  Fe15  1  0.005300  0.775428  0.476576  1
  Fe  Fe16  1  0.005300  0.376234  0.448882  1
  Fe  Fe17  1  0.505300  0.274007  0.546015  1
  Fe  Fe18  1  0.505300  0.874812  0.518322  1
  Fe  Fe19  1  0.005300  0.574577  0.532189  1
  Fe  Fe20  1  0.005300  0.174887  0.504375  1
  Fe  Fe21  1  0.505300  0.073852  0.601929  1
  Fe  Fe22  1  0.505300  0.673876  0.573868  1
  Fe  Fe23  1  0.005300  0.372917  0.587591  1
  Fe  Fe24  1  0.005300  0.974245  0.560088  1
  Fe  Fe25  1  0.505300  0.873788  0.657383  1
  Fe  Fe26  1  0.505300  0.471067  0.629013  1
  Fe  Fe27  1  0.005300  0.173443  0.643957  1
  Fe  Fe28  1  0.005300  0.773508  0.615553  1
  Fe  Fe29  1  0.505300  0.652900  0.711827  1
  Fe  Fe30  1  0.505300  0.274986  0.686111  1
  Fe  Fe31  1  0.005300  0.964717  0.699261  1
  Fe  Fe32  1  0.005300  0.573006  0.669742  1
