# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84903598
_cell_length_b   4.89912396
_cell_length_c   48.06075486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.74956699
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1604.5310805
_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  0.438146  0.044983  0.282369  1
  Fe  Fe2  1  0.786996  0.962085  0.295652  1
  Fe  Fe3  1  0.135814  0.873937  0.310180  1
  Fe  Fe4  1  0.548049  0.560167  0.279950  1
  Fe  Fe5  1  0.894933  0.475396  0.293580  1
  Fe  Fe6  1  0.244394  0.389370  0.307686  1
  Fe  Fe7  1  0.487398  0.776869  0.326471  1
  Fe  Fe8  1  0.837751  0.691586  0.340676  1
  Fe  Fe9  1  0.187658  0.601403  0.355673  1
  Fe  Fe10  1  0.597870  0.291792  0.323982  1
  Fe  Fe11  1  0.947139  0.205720  0.338262  1
  Fe  Fe12  1  0.296272  0.116529  0.353049  1
  Fe  Fe13  1  0.539034  0.507069  0.371497  1
  Fe  Fe14  1  0.890163  0.418199  0.386293  1
  Fe  Fe15  1  0.240470  0.327002  0.401391  1
  Fe  Fe16  1  0.647874  0.022151  0.369031  1
  Fe  Fe17  1  0.998090  0.933115  0.383754  1
  Fe  Fe18  1  0.347836  0.842115  0.398912  1
  Fe  Fe19  1  0.591135  0.234565  0.416868  1
  Fe  Fe20  1  0.942171  0.144085  0.431900  1
  Fe  Fe21  1  0.292610  0.052929  0.447071  1
  Fe  Fe22  1  0.699345  0.749630  0.414354  1
  Fe  Fe23  1  0.049841  0.659089  0.429373  1
  Fe  Fe24  1  0.400155  0.567953  0.444569  1
  Fe  Fe25  1  0.643370  0.961088  0.462363  1
  Fe  Fe26  1  0.994165  0.870106  0.477503  1
  Fe  Fe27  1  0.344730  0.778963  0.492675  1
  Fe  Fe28  1  0.751225  0.476138  0.459850  1
  Fe  Fe29  1  0.101797  0.385170  0.474983  1
  Fe  Fe30  1  0.452422  0.293998  0.490167  1
  Fe  Fe31  1  0.695575  0.687330  0.507920  1
  Fe  Fe32  1  0.046199  0.596157  0.523104  1
  Fe  Fe33  1  0.396771  0.505190  0.538237  1
  Fe  Fe34  1  0.803267  0.202365  0.505412  1
  Fe  Fe35  1  0.153832  0.111221  0.520585  1
  Fe  Fe36  1  0.504627  0.020240  0.535724  1
  Fe  Fe37  1  0.747842  0.413374  0.553518  1
  Fe  Fe38  1  0.098155  0.322239  0.568714  1
  Fe  Fe39  1  0.448652  0.231698  0.583733  1
  Fe  Fe40  1  0.855386  0.928399  0.551016  1
  Fe  Fe41  1  0.205826  0.837243  0.566187  1
  Fe  Fe42  1  0.556861  0.746763  0.581219  1
  Fe  Fe43  1  0.800160  0.139213  0.599175  1
  Fe  Fe44  1  0.149907  0.048213  0.614333  1
  Fe  Fe45  1  0.500123  0.959177  0.629056  1
  Fe  Fe46  1  0.907527  0.654326  0.596697  1
  Fe  Fe47  1  0.257834  0.563129  0.611794  1
  Fe  Fe48  1  0.608962  0.474259  0.626590  1
  Fe  Fe49  1  0.851725  0.864799  0.645038  1
  Fe  Fe50  1  0.200858  0.775608  0.659826  1
  Fe  Fe51  1  0.550127  0.689535  0.674105  1
  Fe  Fe52  1  0.960338  0.379925  0.642414  1
  Fe  Fe53  1  0.310246  0.289742  0.657411  1
  Fe  Fe54  1  0.660599  0.204459  0.671616  1
  Fe  Fe55  1  0.903603  0.591957  0.690401  1
  Fe  Fe56  1  0.253064  0.505932  0.704507  1
  Fe  Fe57  1  0.599948  0.421160  0.718137  1
  Fe  Fe58  1  0.012183  0.107391  0.687907  1
  Fe  Fe59  1  0.361001  0.019243  0.702435  1
  Fe  Fe60  1  0.709851  0.936344  0.715718  1
