# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33247665
_cell_length_b   4.81255916
_cell_length_c   45.98370581
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.88922669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   855.113895162
_cell_formula_units_Z   34
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  0.761892  0.329628  0.281679  1
  Fe  Fe2  1  0.347703  0.774627  0.292348  1
  Fe  Fe3  1  0.205201  0.228942  0.306246  1
  Fe  Fe4  1  0.793167  0.699880  0.319721  1
  Fe  Fe5  1  0.664704  0.157007  0.333535  1
  Fe  Fe6  1  0.242200  0.611636  0.345139  1
  Fe  Fe7  1  0.124714  0.070077  0.359523  1
  Fe  Fe8  1  0.694518  0.529356  0.372391  1
  Fe  Fe9  1  0.580247  0.983281  0.385765  1
  Fe  Fe10  1  0.147637  0.443140  0.398498  1
  Fe  Fe11  1  0.037865  0.900344  0.412217  1
  Fe  Fe12  1  0.603585  0.357588  0.425010  1
  Fe  Fe13  1  0.493859  0.813985  0.438392  1
  Fe  Fe14  1  0.059565  0.272531  0.451365  1
  Fe  Fe15  1  0.950450  0.729067  0.464758  1
  Fe  Fe16  1  0.515881  0.186761  0.477705  1
  Fe  Fe17  1  0.407026  0.643561  0.491054  1
  Fe  Fe18  1  0.972432  0.101462  0.504055  1
  Fe  Fe19  1  0.863577  0.558262  0.517404  1
  Fe  Fe20  1  0.429008  0.015956  0.530350  1
  Fe  Fe21  1  0.319893  0.472492  0.543744  1
  Fe  Fe22  1  0.885599  0.931038  0.556716  1
  Fe  Fe23  1  0.775873  0.387435  0.570098  1
  Fe  Fe24  1  0.341593  0.844679  0.582892  1
  Fe  Fe25  1  0.231821  0.301883  0.596611  1
  Fe  Fe26  1  0.799211  0.761741  0.609344  1
  Fe  Fe27  1  0.684940  0.215666  0.622718  1
  Fe  Fe28  1  0.254744  0.674946  0.635586  1
  Fe  Fe29  1  0.137258  0.133387  0.649969  1
  Fe  Fe30  1  0.714754  0.588016  0.661573  1
  Fe  Fe31  1  0.586291  0.045143  0.675387  1
  Fe  Fe32  1  0.174257  0.516081  0.688863  1
  Fe  Fe33  1  0.031755  0.970396  0.702761  1
  Fe  Fe34  1  0.617566  0.415394  0.713430  1
