# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53439546
_cell_length_b   3.99465872
_cell_length_c   90.92700737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe44
_cell_volume   1257.83401864
_cell_formula_units_Z   44
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  0.871729  0.821448  0.056207  1
  Fe  Fe2  1  0.371729  0.321448  0.056207  1
  Fe  Fe3  1  0.371729  0.821448  0.075510  1
  Fe  Fe4  1  0.871729  0.321448  0.075510  1
  Fe  Fe5  1  0.871729  0.821448  0.095127  1
  Fe  Fe6  1  0.371729  0.321448  0.095127  1
  Fe  Fe7  1  0.371729  0.821448  0.114821  1
  Fe  Fe8  1  0.871729  0.321448  0.114821  1
  Fe  Fe9  1  0.871729  0.821448  0.134524  1
  Fe  Fe10  1  0.371729  0.321448  0.134524  1
  Fe  Fe11  1  0.371729  0.821448  0.154228  1
  Fe  Fe12  1  0.871729  0.321448  0.154228  1
  Fe  Fe13  1  0.871729  0.821448  0.173931  1
  Fe  Fe14  1  0.371729  0.321448  0.173931  1
  Fe  Fe15  1  0.371729  0.821448  0.193635  1
  Fe  Fe16  1  0.871729  0.321448  0.193635  1
  Fe  Fe17  1  0.871729  0.821448  0.213339  1
  Fe  Fe18  1  0.371729  0.321448  0.213339  1
  Fe  Fe19  1  0.371729  0.821448  0.233043  1
  Fe  Fe20  1  0.871729  0.321448  0.233043  1
  Fe  Fe21  1  0.871729  0.821448  0.252747  1
  Fe  Fe22  1  0.371729  0.321448  0.252747  1
  Fe  Fe23  1  0.371729  0.821448  0.272451  1
  Fe  Fe24  1  0.871729  0.321448  0.272451  1
  Fe  Fe25  1  0.871729  0.821448  0.292154  1
  Fe  Fe26  1  0.371729  0.321448  0.292154  1
  Fe  Fe27  1  0.371729  0.821448  0.311858  1
  Fe  Fe28  1  0.871729  0.321448  0.311858  1
  Fe  Fe29  1  0.871729  0.821448  0.331562  1
  Fe  Fe30  1  0.371729  0.321448  0.331562  1
  Fe  Fe31  1  0.371729  0.821448  0.351266  1
  Fe  Fe32  1  0.871729  0.321448  0.351266  1
  Fe  Fe33  1  0.871729  0.821448  0.370970  1
  Fe  Fe34  1  0.371729  0.321448  0.370970  1
  Fe  Fe35  1  0.371729  0.821448  0.390674  1
  Fe  Fe36  1  0.871729  0.321448  0.390674  1
  Fe  Fe37  1  0.871729  0.821448  0.410376  1
  Fe  Fe38  1  0.371729  0.321448  0.410376  1
  Fe  Fe39  1  0.371729  0.821448  0.430070  1
  Fe  Fe40  1  0.871729  0.321448  0.430070  1
  Fe  Fe41  1  0.871729  0.821448  0.449687  1
  Fe  Fe42  1  0.371729  0.321448  0.449687  1
  Fe  Fe43  1  0.371729  0.821448  0.468990  1
  Fe  Fe44  1  0.871729  0.321448  0.468990  1
