# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14167355
_cell_length_b   4.44944232
_cell_length_c   47.19738238
_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   869.759855434
_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  0.752852  0.673946  0.273438  1
  Fe  Fe2  1  0.252852  0.847478  0.299412  1
  Fe  Fe3  1  0.752852  0.179260  0.299000  1
  Fe  Fe4  1  0.252852  0.338614  0.327830  1
  Fe  Fe5  1  0.752852  0.671598  0.327920  1
  Fe  Fe6  1  0.252852  0.836928  0.355750  1
  Fe  Fe7  1  0.752852  0.172883  0.355765  1
  Fe  Fe8  1  0.252852  0.335836  0.383547  1
  Fe  Fe9  1  0.752852  0.673888  0.383449  1
  Fe  Fe10  1  0.252852  0.835404  0.411266  1
  Fe  Fe11  1  0.752852  0.174149  0.411277  1
  Fe  Fe12  1  0.252852  0.335363  0.439026  1
  Fe  Fe13  1  0.752852  0.674221  0.439006  1
  Fe  Fe14  1  0.252852  0.835311  0.466768  1
  Fe  Fe15  1  0.752852  0.174213  0.466770  1
  Fe  Fe16  1  0.252852  0.335306  0.494523  1
  Fe  Fe17  1  0.752852  0.674212  0.494517  1
  Fe  Fe18  1  0.252852  0.835306  0.522270  1
  Fe  Fe19  1  0.752852  0.174208  0.522272  1
  Fe  Fe20  1  0.252852  0.335298  0.550034  1
  Fe  Fe21  1  0.752852  0.674155  0.550014  1
  Fe  Fe22  1  0.252852  0.835369  0.577764  1
  Fe  Fe23  1  0.752852  0.174114  0.577774  1
  Fe  Fe24  1  0.252852  0.335630  0.605591  1
  Fe  Fe25  1  0.752852  0.673683  0.605493  1
  Fe  Fe26  1  0.252852  0.836635  0.633275  1
  Fe  Fe27  1  0.752852  0.172591  0.633291  1
  Fe  Fe28  1  0.252852  0.337921  0.661120  1
  Fe  Fe29  1  0.752852  0.670905  0.661210  1
  Fe  Fe30  1  0.252852  0.830259  0.690040  1
  Fe  Fe31  1  0.752852  0.162041  0.689628  1
  Fe  Fe32  1  0.252852  0.335573  0.715602  1
