# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64344188
_cell_length_b   5.08407975
_cell_length_c   45.97430105
_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   851.607222037
_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  0.997940  0.379651  0.295443  1
  Fe  Fe2  1  0.497940  0.629651  0.320967  1
  Fe  Fe3  1  0.497940  0.129651  0.320967  1
  Fe  Fe4  1  0.997940  0.879651  0.295443  1
  Fe  Fe5  1  -0.002060  0.879651  0.349018  1
  Fe  Fe6  1  0.497940  0.129651  0.376824  1
  Fe  Fe7  1  0.497940  0.629651  0.376824  1
  Fe  Fe8  1  -0.002060  0.379651  0.349018  1
  Fe  Fe9  1  -0.002060  0.379651  0.404724  1
  Fe  Fe10  1  0.497940  0.629651  0.432584  1
  Fe  Fe11  1  0.497940  0.129651  0.432584  1
  Fe  Fe12  1  -0.002060  0.879651  0.404724  1
  Fe  Fe13  1  0.997940  0.879651  0.460458  1
  Fe  Fe14  1  0.497940  0.129651  0.488327  1
  Fe  Fe15  1  0.497940  0.629651  0.488327  1
  Fe  Fe16  1  0.997940  0.379651  0.460458  1
  Fe  Fe17  1  0.997940  0.379651  0.516198  1
  Fe  Fe18  1  0.497940  0.629651  0.544068  1
  Fe  Fe19  1  0.497940  0.129651  0.544068  1
  Fe  Fe20  1  0.997940  0.879651  0.516198  1
  Fe  Fe21  1  -0.002060  0.879651  0.571942  1
  Fe  Fe22  1  0.497940  0.129651  0.599802  1
  Fe  Fe23  1  0.497940  0.629651  0.599802  1
  Fe  Fe24  1  -0.002060  0.379651  0.571942  1
  Fe  Fe25  1  -0.002060  0.379651  0.627702  1
  Fe  Fe26  1  0.497940  0.629651  0.655508  1
  Fe  Fe27  1  0.497940  0.129651  0.655508  1
  Fe  Fe28  1  0.997940  0.879651  0.627702  1
  Fe  Fe29  1  0.997940  0.879651  0.683559  1
  Fe  Fe30  1  0.497940  0.129651  0.709082  1
  Fe  Fe31  1  0.497940  0.629651  0.709082  1
  Fe  Fe32  1  0.997940  0.379651  0.683559  1
