# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56419505
_cell_length_b   10.62218772
_cell_length_c   50.73000484
_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   Fe54
_cell_volume   1381.75146277
_cell_formula_units_Z   54
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  0.557680  0.123111  0.292106  1
  Fe  Fe2  1  0.557680  0.934494  0.254686  1
  Fe  Fe3  1  0.557680  0.529531  0.278244  1
  Fe  Fe4  1  0.057680  0.319340  0.272850  1
  Fe  Fe5  1  0.057680  0.130150  0.247175  1
  Fe  Fe6  1  0.057680  0.732113  0.268621  1
  Fe  Fe7  1  0.557680  0.972570  0.334958  1
  Fe  Fe8  1  0.557680  0.737186  0.313495  1
  Fe  Fe9  1  0.557680  0.343018  0.313988  1
  Fe  Fe10  1  0.057680  0.174561  0.336137  1
  Fe  Fe11  1  0.057680  0.920635  0.295555  1
  Fe  Fe12  1  0.057680  0.538831  0.319150  1
  Fe  Fe13  1  0.557680  0.855165  0.397933  1
  Fe  Fe14  1  0.557680  0.597827  0.358038  1
  Fe  Fe15  1  0.557680  0.226111  0.379029  1
  Fe  Fe16  1  0.057680  0.025125  0.375301  1
  Fe  Fe17  1  0.057680  0.798976  0.356668  1
  Fe  Fe18  1  0.057680  0.393928  0.356945  1
  Fe  Fe19  1  0.557680  0.709571  0.436285  1
  Fe  Fe20  1  0.557680  0.451151  0.399755  1
  Fe  Fe21  1  0.557680  0.076548  0.416467  1
  Fe  Fe22  1  0.057680  0.906272  0.439277  1
  Fe  Fe23  1  0.057680  0.649937  0.397628  1
  Fe  Fe24  1  0.057680  0.280765  0.420936  1
  Fe  Fe25  1  0.557680  0.545725  0.493147  1
  Fe  Fe26  1  0.557680  0.328329  0.461349  1
  Fe  Fe27  1  0.557680  0.939981  0.480521  1
  Fe  Fe28  1  0.057680  0.732201  0.476819  1
  Fe  Fe29  1  0.057680  0.514805  0.445021  1
  Fe  Fe30  1  0.057680  0.120549  0.457647  1
  Fe  Fe31  1  0.557680  0.410593  0.540540  1
  Fe  Fe32  1  0.557680  0.154258  0.498891  1
  Fe  Fe33  1  0.557680  0.779764  0.517232  1
  Fe  Fe34  1  0.057680  0.609379  0.538412  1
  Fe  Fe35  1  0.057680  0.350959  0.501883  1
  Fe  Fe36  1  0.057680  0.983982  0.521701  1
  Fe  Fe37  1  0.557680  0.261553  0.581500  1
  Fe  Fe38  1  0.557680  0.035405  0.562866  1
  Fe  Fe39  1  0.557680  0.666602  0.581223  1
  Fe  Fe40  1  0.057680  0.462703  0.580130  1
  Fe  Fe41  1  0.057680  0.205365  0.540235  1
  Fe  Fe42  1  0.057680  0.834419  0.559139  1
  Fe  Fe43  1  0.557680  0.139895  0.642613  1
  Fe  Fe44  1  0.557680  0.885968  0.602030  1
  Fe  Fe45  1  0.557680  0.521698  0.619018  1
  Fe  Fe46  1  0.057680  0.323344  0.624673  1
  Fe  Fe47  1  0.057680  0.087959  0.603210  1
  Fe  Fe48  1  0.057680  0.717512  0.624180  1
  Fe  Fe49  1  0.557680  0.930380  0.690992  1
  Fe  Fe50  1  0.557680  0.741190  0.665318  1
  Fe  Fe51  1  0.557680  0.328417  0.669547  1
  Fe  Fe52  1  0.057680  0.126036  0.683482  1
  Fe  Fe53  1  0.057680  0.937419  0.646062  1
  Fe  Fe54  1  0.057680  0.530999  0.659924  1
