# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45095845
_cell_length_b   8.68633614
_cell_length_c   46.60154301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.91654325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1741.01797578
_cell_formula_units_Z   64
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  0.287247  0.886349  0.276826  1
  Fe  Fe2  1  0.518769  0.381063  0.289142  1
  Fe  Fe3  1  0.736431  0.136235  0.282862  1
  Fe  Fe4  1  0.981329  0.619618  0.295864  1
  Fe  Fe5  1  0.773544  0.864883  0.303355  1
  Fe  Fe6  1  0.013629  0.355374  0.317509  1
  Fe  Fe7  1  0.223979  0.111880  0.310626  1
  Fe  Fe8  1  0.470486  0.598292  0.324505  1
  Fe  Fe9  1  0.259785  0.841551  0.332020  1
  Fe  Fe10  1  0.500873  0.330194  0.345905  1
  Fe  Fe11  1  0.715152  0.086617  0.339052  1
  Fe  Fe12  1  0.959330  0.573887  0.352763  1
  Fe  Fe13  1  0.746145  0.817994  0.359570  1
  Fe  Fe14  1  0.988898  0.306373  0.373542  1
  Fe  Fe15  1  0.203933  0.062117  0.366526  1
  Fe  Fe16  1  0.448418  0.550294  0.380457  1
  Fe  Fe17  1  0.233000  0.794166  0.387372  1
  Fe  Fe18  1  0.476422  0.282148  0.401294  1
  Fe  Fe19  1  0.692745  0.038133  0.394341  1
  Fe  Fe20  1  0.936695  0.526243  0.408238  1
  Fe  Fe21  1  0.720665  0.770232  0.415128  1
  Fe  Fe22  1  0.964525  0.258241  0.429016  1
  Fe  Fe23  1  0.180852  0.014212  0.422063  1
  Fe  Fe24  1  0.424819  0.502308  0.435954  1
  Fe  Fe25  1  0.208642  0.746334  0.442871  1
  Fe  Fe26  1  0.452565  0.234320  0.456745  1
  Fe  Fe27  1  0.668927  0.990315  0.449808  1
  Fe  Fe28  1  0.912893  0.478367  0.463688  1
  Fe  Fe29  1  0.696646  0.722388  0.470612  1
  Fe  Fe30  1  0.940617  0.210403  0.484482  1
  Fe  Fe31  1  0.156967  0.966401  0.477549  1
  Fe  Fe32  1  0.400943  0.454429  0.491421  1
  Fe  Fe33  1  0.184686  0.698458  0.498347  1
  Fe  Fe34  1  0.428662  0.186487  0.512219  1
  Fe  Fe35  1  0.645012  0.942484  0.505286  1
  Fe  Fe36  1  0.888983  0.430499  0.519156  1
  Fe  Fe37  1  0.672736  0.674520  0.526079  1
  Fe  Fe38  1  0.916702  0.162572  0.539959  1
  Fe  Fe39  1  0.133064  0.918568  0.533023  1
  Fe  Fe40  1  0.376987  0.406553  0.546897  1
  Fe  Fe41  1  0.160810  0.650579  0.553813  1
  Fe  Fe42  1  0.404777  0.138675  0.567704  1
  Fe  Fe43  1  0.621104  0.894646  0.560751  1
  Fe  Fe44  1  0.864963  0.382655  0.574640  1
  Fe  Fe45  1  0.648934  0.626644  0.581530  1
  Fe  Fe46  1  0.892884  0.114754  0.595426  1
  Fe  Fe47  1  0.109207  0.870739  0.588474  1
  Fe  Fe48  1  0.352629  0.358721  0.602396  1
  Fe  Fe49  1  0.137211  0.602593  0.609311  1
  Fe  Fe50  1  0.381696  0.090770  0.623242  1
  Fe  Fe51  1  0.596731  0.846514  0.616225  1
  Fe  Fe52  1  0.839483  0.334894  0.630198  1
  Fe  Fe53  1  0.626299  0.579000  0.637004  1
  Fe  Fe54  1  0.870477  0.066270  0.650715  1
  Fe  Fe55  1  0.084756  0.822693  0.643863  1
  Fe  Fe56  1  0.325844  0.311336  0.657748  1
  Fe  Fe57  1  0.115143  0.554596  0.665262  1
  Fe  Fe58  1  0.361650  0.041007  0.679142  1
  Fe  Fe59  1  0.572000  0.797513  0.672259  1
  Fe  Fe60  1  0.812085  0.288005  0.686413  1
  Fe  Fe61  1  0.604300  0.533269  0.693904  1
  Fe  Fe62  1  0.849198  0.016652  0.706906  1
  Fe  Fe63  1  0.066860  0.771824  0.700626  1
  Fe  Fe64  1  0.298382  0.266538  0.712942  1
