# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05515342
_cell_length_b   9.15720795
_cell_length_c   47.51851250
_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   Fe66
_cell_volume   1764.5468891
_cell_formula_units_Z   66
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  0.763858  0.118261  0.305916  1
  Fe  Fe2  1  0.763858  0.863130  0.292221  1
  Fe  Fe3  1  0.763858  0.600101  0.280138  1
  Fe  Fe4  1  0.263858  0.228685  0.286112  1
  Fe  Fe5  1  0.263858  0.741653  0.310456  1
  Fe  Fe6  1  0.263858  0.485568  0.299193  1
  Fe  Fe7  1  0.763858  0.886438  0.344187  1
  Fe  Fe8  1  0.763858  0.629827  0.331567  1
  Fe  Fe9  1  0.763858  0.372723  0.317879  1
  Fe  Fe10  1  0.263858  0.999309  0.323158  1
  Fe  Fe11  1  0.263858  0.512652  0.350693  1
  Fe  Fe12  1  0.263858  0.256439  0.337851  1
  Fe  Fe13  1  0.763858  0.655788  0.383644  1
  Fe  Fe14  1  0.763858  0.398940  0.370593  1
  Fe  Fe15  1  0.763858  0.142688  0.357497  1
  Fe  Fe16  1  0.263858  0.769283  0.362365  1
  Fe  Fe17  1  0.263858  0.281686  0.389567  1
  Fe  Fe18  1  0.263858  0.025883  0.375161  1
  Fe  Fe19  1  0.763858  0.436575  0.423828  1
  Fe  Fe20  1  0.763858  0.175800  0.410184  1
  Fe  Fe21  1  0.763858  0.915028  0.396919  1
  Fe  Fe22  1  0.263858  0.534581  0.402672  1
  Fe  Fe23  1  0.263858  0.031153  0.425609  1
  Fe  Fe24  1  0.263858  0.783007  0.413045  1
  Fe  Fe25  1  0.763858  0.304759  0.468102  1
  Fe  Fe26  1  0.763858  0.022636  0.452818  1
  Fe  Fe27  1  0.763858  0.707693  0.436765  1
  Fe  Fe28  1  0.263858  0.274775  0.440913  1
  Fe  Fe29  1  0.263858  0.807910  0.464761  1
  Fe  Fe30  1  0.263858  0.535498  0.453609  1
  Fe  Fe31  1  0.763858  0.131327  0.507754  1
  Fe  Fe32  1  0.763858  0.852494  0.492232  1
  Fe  Fe33  1  0.763858  0.576285  0.480800  1
  Fe  Fe34  1  0.263858  0.086848  0.479980  1
  Fe  Fe35  1  0.263858  0.641889  0.506934  1
  Fe  Fe36  1  0.263858  0.365681  0.495501  1
  Fe  Fe37  1  0.763858  0.943399  0.546821  1
  Fe  Fe38  1  0.763858  0.682677  0.534125  1
  Fe  Fe39  1  0.763858  0.410265  0.522973  1
  Fe  Fe40  1  0.263858  0.913415  0.519632  1
  Fe  Fe41  1  0.263858  0.510482  0.550968  1
  Fe  Fe42  1  0.263858  0.195539  0.534915  1
  Fe  Fe43  1  0.763858  0.683594  0.585062  1
  Fe  Fe44  1  0.763858  0.435168  0.574688  1
  Fe  Fe45  1  0.763858  0.187022  0.562124  1
  Fe  Fe46  1  0.263858  0.781600  0.563906  1
  Fe  Fe47  1  0.263858  0.303147  0.590815  1
  Fe  Fe48  1  0.263858  0.042375  0.577550  1
  Fe  Fe49  1  0.763858  0.448891  0.625369  1
  Fe  Fe50  1  0.763858  0.192291  0.612572  1
  Fe  Fe51  1  0.763858  0.936489  0.598166  1
  Fe  Fe52  1  0.263858  0.562387  0.604089  1
  Fe  Fe53  1  0.263858  0.075487  0.630236  1
  Fe  Fe54  1  0.263858  0.819235  0.617141  1
  Fe  Fe55  1  0.763858  0.218866  0.664576  1
  Fe  Fe56  1  0.763858  0.961736  0.649882  1
  Fe  Fe57  1  0.763858  0.705522  0.637041  1
  Fe  Fe58  1  0.263858  0.331737  0.643547  1
  Fe  Fe59  1  0.263858  0.845452  0.669855  1
  Fe  Fe60  1  0.263858  0.588348  0.656166  1
  Fe  Fe61  1  0.763858  0.989489  0.701622  1
  Fe  Fe62  1  0.763858  0.732607  0.688540  1
  Fe  Fe63  1  0.763858  0.476522  0.677278  1
  Fe  Fe64  1  0.263858  0.099913  0.681817  1
  Fe  Fe65  1  0.263858  0.618074  0.707596  1
  Fe  Fe66  1  0.263858  0.355045  0.695513  1
