# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57677491
_cell_length_b   12.75029816
_cell_length_c   49.05690282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.85460919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1603.3403246
_cell_formula_units_Z   60
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  0.275491  0.888923  0.307943  1
  Fe  Fe2  1  0.111205  0.245664  0.279786  1
  Fe  Fe3  1  0.179996  0.568324  0.293616  1
  Fe  Fe4  1  0.682779  0.069472  0.294022  1
  Fe  Fe5  1  0.775387  0.388683  0.308462  1
  Fe  Fe6  1  0.607511  0.744813  0.279314  1
  Fe  Fe7  1  0.627512  0.852559  0.353476  1
  Fe  Fe8  1  0.410663  0.210369  0.324766  1
  Fe  Fe9  1  0.510323  0.531431  0.338803  1
  Fe  Fe10  1  0.019140  0.031287  0.339044  1
  Fe  Fe11  1  0.125173  0.353373  0.354380  1
  Fe  Fe12  1  0.909232  0.709696  0.324191  1
  Fe  Fe13  1  0.958928  0.817046  0.399056  1
  Fe  Fe14  1  0.749079  0.174425  0.369651  1
  Fe  Fe15  1  0.830425  0.495917  0.384099  1
  Fe  Fe16  1  0.368939  0.993949  0.384124  1
  Fe  Fe17  1  0.471009  0.317417  0.400343  1
  Fe  Fe18  1  0.239256  0.674046  0.369369  1
  Fe  Fe19  1  0.153130  0.780347  0.445468  1
  Fe  Fe20  1  0.109945  0.135227  0.413946  1
  Fe  Fe21  1  0.042069  0.464460  0.429968  1
  Fe  Fe22  1  0.743354  0.958698  0.429652  1
  Fe  Fe23  1  0.950467  0.274380  0.444513  1
  Fe  Fe24  1  0.602258  0.639988  0.414587  1
  Fe  Fe25  1  0.739215  0.744933  0.490836  1
  Fe  Fe26  1  0.338738  0.098644  0.460067  1
  Fe  Fe27  1  0.521608  0.420858  0.473810  1
  Fe  Fe28  1  0.513545  0.921901  0.476190  1
  Fe  Fe29  1  0.708036  0.242657  0.490481  1
  Fe  Fe30  1  0.338415  0.603494  0.460803  1
  Fe  Fe31  1  0.326569  0.704203  0.535005  1
  Fe  Fe32  1  0.956948  0.065041  0.505328  1
  Fe  Fe33  1  0.151439  0.385797  0.519618  1
  Fe  Fe34  1  0.143376  0.886839  0.521998  1
  Fe  Fe35  1  0.326246  0.209054  0.535742  1
  Fe  Fe36  1  0.925769  0.562765  0.504972  1
  Fe  Fe37  1  0.062726  0.667710  0.581221  1
  Fe  Fe38  1  0.714517  0.033318  0.551295  1
  Fe  Fe39  1  0.921629  0.349000  0.566156  1
  Fe  Fe40  1  0.622915  0.843238  0.565840  1
  Fe  Fe41  1  0.555039  0.172470  0.581863  1
  Fe  Fe42  1  0.511854  0.527351  0.550340  1
  Fe  Fe43  1  0.425728  0.633652  0.626439  1
  Fe  Fe44  1  0.193975  0.990281  0.595465  1
  Fe  Fe45  1  0.296045  0.313748  0.611685  1
  Fe  Fe46  1  0.834559  0.811781  0.611709  1
  Fe  Fe47  1  0.915905  0.133273  0.626158  1
  Fe  Fe48  1  0.706056  0.490652  0.596752  1
  Fe  Fe49  1  0.755752  0.598002  0.671618  1
  Fe  Fe50  1  0.539811  0.954325  0.641428  1
  Fe  Fe51  1  0.645844  0.276411  0.656764  1
  Fe  Fe52  1  0.154661  0.776266  0.657005  1
  Fe  Fe53  1  0.254321  0.097328  0.671042  1
  Fe  Fe54  1  0.037472  0.455139  0.642332  1
  Fe  Fe55  1  0.057473  0.562884  0.716494  1
  Fe  Fe56  1  0.889597  0.919015  0.687346  1
  Fe  Fe57  1  0.982205  0.238226  0.701786  1
  Fe  Fe58  1  0.484988  0.739374  0.702192  1
  Fe  Fe59  1  0.553779  0.062034  0.716022  1
  Fe  Fe60  1  0.389493  0.418775  0.687865  1
