# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84792573
_cell_length_b   4.89941583
_cell_length_c   48.06184508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.74956931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1604.40294331
_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  0.438174  0.045150  0.282340  1
  Fe  Fe2  1  0.787028  0.962133  0.295634  1
  Fe  Fe3  1  0.135865  0.873948  0.310164  1
  Fe  Fe4  1  0.547976  0.560316  0.279924  1
  Fe  Fe5  1  0.894897  0.475453  0.293560  1
  Fe  Fe6  1  0.244374  0.389367  0.307674  1
  Fe  Fe7  1  0.487422  0.776982  0.326446  1
  Fe  Fe8  1  0.837803  0.691630  0.340661  1
  Fe  Fe9  1  0.187713  0.601413  0.355661  1
  Fe  Fe10  1  0.597857  0.291903  0.323958  1
  Fe  Fe11  1  0.947149  0.205758  0.338244  1
  Fe  Fe12  1  0.296284  0.116530  0.353039  1
  Fe  Fe13  1  0.539080  0.507138  0.371475  1
  Fe  Fe14  1  0.890220  0.418217  0.386278  1
  Fe  Fe15  1  0.240535  0.327003  0.401379  1
  Fe  Fe16  1  0.647889  0.022218  0.369010  1
  Fe  Fe17  1  0.998118  0.933129  0.383740  1
  Fe  Fe18  1  0.347877  0.842110  0.398901  1
  Fe  Fe19  1  0.591201  0.234588  0.416851  1
  Fe  Fe20  1  0.942240  0.144082  0.431887  1
  Fe  Fe21  1  0.292687  0.052913  0.447059  1
  Fe  Fe22  1  0.699379  0.749650  0.414337  1
  Fe  Fe23  1  0.049884  0.659082  0.429361  1
  Fe  Fe24  1  0.400209  0.567934  0.444558  1
  Fe  Fe25  1  0.643449  0.961083  0.462349  1
  Fe  Fe26  1  0.994249  0.870085  0.477490  1
  Fe  Fe27  1  0.344821  0.778929  0.492664  1
  Fe  Fe28  1  0.751277  0.476129  0.459836  1
  Fe  Fe29  1  0.101857  0.385145  0.474971  1
  Fe  Fe30  1  0.452488  0.293960  0.490157  1
  Fe  Fe31  1  0.695668  0.687303  0.507908  1
  Fe  Fe32  1  0.046299  0.596118  0.523093  1
  Fe  Fe33  1  0.396878  0.505134  0.538228  1
  Fe  Fe34  1  0.803335  0.202334  0.505401  1
  Fe  Fe35  1  0.153907  0.111178  0.520574  1
  Fe  Fe36  1  0.504706  0.020181  0.535716  1
  Fe  Fe37  1  0.747947  0.413329  0.553506  1
  Fe  Fe38  1  0.098271  0.322181  0.568704  1
  Fe  Fe39  1  0.448777  0.231613  0.583727  1
  Fe  Fe40  1  0.855469  0.928350  0.551005  1
  Fe  Fe41  1  0.205916  0.837181  0.566178  1
  Fe  Fe42  1  0.556954  0.746675  0.581214  1
  Fe  Fe43  1  0.800279  0.139153  0.599164  1
  Fe  Fe44  1  0.150037  0.048134  0.614325  1
  Fe  Fe45  1  0.500267  0.959045  0.629055  1
  Fe  Fe46  1  0.907621  0.654260  0.596686  1
  Fe  Fe47  1  0.257936  0.563046  0.611786  1
  Fe  Fe48  1  0.609075  0.474125  0.626589  1
  Fe  Fe49  1  0.851871  0.864733  0.645025  1
  Fe  Fe50  1  0.201007  0.775505  0.659821  1
  Fe  Fe51  1  0.550298  0.689360  0.674107  1
  Fe  Fe52  1  0.960442  0.379850  0.642404  1
  Fe  Fe53  1  0.310352  0.289634  0.657404  1
  Fe  Fe54  1  0.660733  0.204281  0.671619  1
  Fe  Fe55  1  0.903782  0.591896  0.690391  1
  Fe  Fe56  1  0.253259  0.505810  0.704504  1
  Fe  Fe57  1  0.600179  0.420947  0.718141  1
  Fe  Fe58  1  0.012291  0.107315  0.687901  1
  Fe  Fe59  1  0.361128  0.019130  0.702430  1
  Fe  Fe60  1  0.709982  0.936113  0.715725  1
