# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04779775
_cell_length_b   9.17097828
_cell_length_c   47.48481237
_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   1762.74380046
_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  0.764792  0.118447  0.306082  1
  Fe  Fe2  1  0.764792  0.863510  0.292377  1
  Fe  Fe3  1  0.764792  0.600769  0.280274  1
  Fe  Fe4  1  0.264792  0.229198  0.286241  1
  Fe  Fe5  1  0.264792  0.741702  0.310627  1
  Fe  Fe6  1  0.264792  0.485806  0.299336  1
  Fe  Fe7  1  0.764792  0.886249  0.344395  1
  Fe  Fe8  1  0.764792  0.629766  0.331761  1
  Fe  Fe9  1  0.764792  0.372792  0.318053  1
  Fe  Fe10  1  0.264792  0.999252  0.323326  1
  Fe  Fe11  1  0.264792  0.512347  0.350888  1
  Fe  Fe12  1  0.264792  0.256269  0.338033  1
  Fe  Fe13  1  0.764792  0.655219  0.383891  1
  Fe  Fe14  1  0.764792  0.398506  0.370823  1
  Fe  Fe15  1  0.764792  0.142386  0.357715  1
  Fe  Fe16  1  0.264792  0.768820  0.362579  1
  Fe  Fe17  1  0.264792  0.281000  0.389795  1
  Fe  Fe18  1  0.264792  0.025301  0.375375  1
  Fe  Fe19  1  0.764792  0.435605  0.424127  1
  Fe  Fe20  1  0.764792  0.174994  0.410467  1
  Fe  Fe21  1  0.764792  0.914347  0.397175  1
  Fe  Fe22  1  0.264792  0.533778  0.402915  1
  Fe  Fe23  1  0.264792  0.030193  0.425850  1
  Fe  Fe24  1  0.264792  0.782103  0.413298  1
  Fe  Fe25  1  0.764792  0.303789  0.468433  1
  Fe  Fe26  1  0.764792  0.021512  0.453114  1
  Fe  Fe27  1  0.764792  0.706634  0.437079  1
  Fe  Fe28  1  0.264792  0.273745  0.441172  1
  Fe  Fe29  1  0.264792  0.806819  0.465044  1
  Fe  Fe30  1  0.264792  0.534396  0.453883  1
  Fe  Fe31  1  0.764792  0.130623  0.508132  1
  Fe  Fe32  1  0.764792  0.851658  0.492576  1
  Fe  Fe33  1  0.764792  0.575293  0.481141  1
  Fe  Fe34  1  0.264792  0.086011  0.480302  1
  Fe  Fe35  1  0.264792  0.641340  0.507293  1
  Fe  Fe36  1  0.264792  0.364976  0.495858  1
  Fe  Fe37  1  0.764792  0.942889  0.547262  1
  Fe  Fe38  1  0.764792  0.682238  0.534551  1
  Fe  Fe39  1  0.764792  0.409814  0.523390  1
  Fe  Fe40  1  0.264792  0.912844  0.520001  1
  Fe  Fe41  1  0.264792  0.510000  0.551354  1
  Fe  Fe42  1  0.264792  0.195121  0.535319  1
  Fe  Fe43  1  0.764792  0.682855  0.585518  1
  Fe  Fe44  1  0.764792  0.434530  0.575136  1
  Fe  Fe45  1  0.764792  0.186441  0.562584  1
  Fe  Fe46  1  0.264792  0.781029  0.564307  1
  Fe  Fe47  1  0.264792  0.302287  0.591259  1
  Fe  Fe48  1  0.264792  0.041639  0.577967  1
  Fe  Fe49  1  0.764792  0.447814  0.625855  1
  Fe  Fe50  1  0.764792  0.191333  0.613059  1
  Fe  Fe51  1  0.764792  0.935634  0.598639  1
  Fe  Fe52  1  0.264792  0.561414  0.604543  1
  Fe  Fe53  1  0.264792  0.074247  0.630719  1
  Fe  Fe54  1  0.264792  0.818127  0.617611  1
  Fe  Fe55  1  0.764792  0.217382  0.665108  1
  Fe  Fe56  1  0.764792  0.960364  0.650401  1
  Fe  Fe57  1  0.764792  0.704287  0.637546  1
  Fe  Fe58  1  0.264792  0.330384  0.644039  1
  Fe  Fe59  1  0.264792  0.843842  0.670381  1
  Fe  Fe60  1  0.264792  0.586868  0.656673  1
  Fe  Fe61  1  0.764792  0.987435  0.702193  1
  Fe  Fe62  1  0.764792  0.730828  0.689098  1
  Fe  Fe63  1  0.764792  0.474932  0.677806  1
  Fe  Fe64  1  0.264792  0.098186  0.682352  1
  Fe  Fe65  1  0.264792  0.615865  0.708160  1
  Fe  Fe66  1  0.264792  0.353124  0.696057  1
