# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63030805
_cell_length_b   4.79572570
_cell_length_c   46.95473654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.66389843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1485.73724835
_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  0.447538  0.100658  0.278789  1
  Fe  Fe2  1  0.795364  0.021564  0.292918  1
  Fe  Fe3  1  0.148051  0.933989  0.306946  1
  Fe  Fe4  1  0.550766  0.614107  0.276849  1
  Fe  Fe5  1  0.895419  0.523793  0.290851  1
  Fe  Fe6  1  0.244110  0.447027  0.304797  1
  Fe  Fe7  1  0.499862  0.841890  0.324124  1
  Fe  Fe8  1  0.848842  0.753634  0.337729  1
  Fe  Fe9  1  0.196350  0.665656  0.352954  1
  Fe  Fe10  1  0.597205  0.355367  0.321961  1
  Fe  Fe11  1  0.949109  0.265967  0.337088  1
  Fe  Fe12  1  0.299506  0.178691  0.350778  1
  Fe  Fe13  1  0.547308  0.575228  0.369246  1
  Fe  Fe14  1  0.896894  0.489224  0.384037  1
  Fe  Fe15  1  0.246914  0.399628  0.398879  1
  Fe  Fe16  1  0.652695  0.087783  0.366946  1
  Fe  Fe17  1  0.003307  0.999718  0.381854  1
  Fe  Fe18  1  0.353261  0.913228  0.396590  1
  Fe  Fe19  1  0.597871  0.310418  0.414544  1
  Fe  Fe20  1  0.948646  0.222812  0.429483  1
  Fe  Fe21  1  0.299006  0.134228  0.444532  1
  Fe  Fe22  1  0.704389  0.824425  0.412353  1
  Fe  Fe23  1  0.055397  0.735832  0.427292  1
  Fe  Fe24  1  0.405412  0.647865  0.442211  1
  Fe  Fe25  1  0.649801  0.045528  0.459978  1
  Fe  Fe26  1  1.000400  0.957485  0.474972  1
  Fe  Fe27  1  0.350957  0.868953  0.490045  1
  Fe  Fe28  1  0.756551  0.559100  0.457619  1
  Fe  Fe29  1  0.107158  0.470682  0.472696  1
  Fe  Fe30  1  0.457640  0.382816  0.487717  1
  Fe  Fe31  1  0.701932  0.780244  0.505399  1
  Fe  Fe32  1  0.052413  0.692378  0.520420  1
  Fe  Fe33  1  0.403020  0.603960  0.535497  1
  Fe  Fe34  1  0.808615  0.294108  0.503071  1
  Fe  Fe35  1  0.159171  0.205576  0.518144  1
  Fe  Fe36  1  0.509770  0.117533  0.533138  1
  Fe  Fe37  1  0.754159  0.515195  0.550905  1
  Fe  Fe38  1  0.104174  0.427228  0.565824  1
  Fe  Fe39  1  0.455182  0.338635  0.580763  1
  Fe  Fe40  1  0.860565  0.028832  0.548584  1
  Fe  Fe41  1  0.210926  0.940248  0.563633  1
  Fe  Fe42  1  0.561700  0.852642  0.578572  1
  Fe  Fe43  1  0.806311  0.249833  0.596526  1
  Fe  Fe44  1  0.156264  0.163342  0.611262  1
  Fe  Fe45  1  0.506876  0.075278  0.626170  1
  Fe  Fe46  1  0.912658  0.763432  0.594237  1
  Fe  Fe47  1  0.262677  0.673837  0.609079  1
  Fe  Fe48  1  0.612263  0.587833  0.623870  1
  Fe  Fe49  1  0.860065  0.984369  0.642338  1
  Fe  Fe50  1  0.210462  0.897093  0.656028  1
  Fe  Fe51  1  0.562366  0.807694  0.671155  1
  Fe  Fe52  1  0.963222  0.497404  0.640162  1
  Fe  Fe53  1  0.310730  0.409426  0.655387  1
  Fe  Fe54  1  0.659709  0.321171  0.668993  1
  Fe  Fe55  1  0.915462  0.716034  0.688320  1
  Fe  Fe56  1  0.264152  0.639267  0.702265  1
  Fe  Fe57  1  0.608805  0.548953  0.716268  1
  Fe  Fe58  1  0.011520  0.229071  0.686170  1
  Fe  Fe59  1  0.364208  0.141496  0.700198  1
  Fe  Fe60  1  0.712033  0.062402  0.714327  1
