# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84791058
_cell_length_b   4.89949009
_cell_length_c   48.06282653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.74956452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1604.45648819
_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  0.438177  0.045168  0.282335  1
  Fe  Fe2  1  0.787029  0.962137  0.295629  1
  Fe  Fe3  1  0.135866  0.873948  0.310158  1
  Fe  Fe4  1  0.547970  0.560331  0.279919  1
  Fe  Fe5  1  0.894891  0.475458  0.293555  1
  Fe  Fe6  1  0.244370  0.389367  0.307669  1
  Fe  Fe7  1  0.487421  0.776991  0.326440  1
  Fe  Fe8  1  0.837804  0.691633  0.340655  1
  Fe  Fe9  1  0.187713  0.601414  0.355654  1
  Fe  Fe10  1  0.597856  0.291913  0.323952  1
  Fe  Fe11  1  0.947148  0.205760  0.338238  1
  Fe  Fe12  1  0.296283  0.116531  0.353033  1
  Fe  Fe13  1  0.539080  0.507143  0.371468  1
  Fe  Fe14  1  0.890220  0.418218  0.386271  1
  Fe  Fe15  1  0.240535  0.327004  0.401371  1
  Fe  Fe16  1  0.647888  0.022222  0.369003  1
  Fe  Fe17  1  0.998117  0.933131  0.383732  1
  Fe  Fe18  1  0.347876  0.842111  0.398893  1
  Fe  Fe19  1  0.591201  0.234590  0.416843  1
  Fe  Fe20  1  0.942240  0.144082  0.431878  1
  Fe  Fe21  1  0.292687  0.052912  0.447050  1
  Fe  Fe22  1  0.699378  0.749651  0.414329  1
  Fe  Fe23  1  0.049884  0.659082  0.429352  1
  Fe  Fe24  1  0.400208  0.567933  0.444549  1
  Fe  Fe25  1  0.643450  0.961082  0.462339  1
  Fe  Fe26  1  0.994249  0.870084  0.477480  1
  Fe  Fe27  1  0.344822  0.778927  0.492654  1
  Fe  Fe28  1  0.751277  0.476129  0.459827  1
  Fe  Fe29  1  0.101856  0.385143  0.474962  1
  Fe  Fe30  1  0.452488  0.293958  0.490147  1
  Fe  Fe31  1  0.695669  0.687301  0.507897  1
  Fe  Fe32  1  0.046300  0.596115  0.523082  1
  Fe  Fe33  1  0.396880  0.505130  0.538217  1
  Fe  Fe34  1  0.803335  0.202331  0.505390  1
  Fe  Fe35  1  0.153907  0.111175  0.520563  1
  Fe  Fe36  1  0.504707  0.020176  0.535705  1
  Fe  Fe37  1  0.747948  0.413325  0.553495  1
  Fe  Fe38  1  0.098273  0.322176  0.568692  1
  Fe  Fe39  1  0.448779  0.231607  0.583715  1
  Fe  Fe40  1  0.855469  0.928346  0.550994  1
  Fe  Fe41  1  0.205916  0.837176  0.566165  1
  Fe  Fe42  1  0.556955  0.746668  0.581201  1
  Fe  Fe43  1  0.800281  0.139147  0.599151  1
  Fe  Fe44  1  0.150039  0.048127  0.614311  1
  Fe  Fe45  1  0.500269  0.959036  0.629041  1
  Fe  Fe46  1  0.907622  0.654254  0.596673  1
  Fe  Fe47  1  0.257937  0.563040  0.611773  1
  Fe  Fe48  1  0.609077  0.474115  0.626576  1
  Fe  Fe49  1  0.851874  0.864727  0.645011  1
  Fe  Fe50  1  0.201009  0.775498  0.659806  1
  Fe  Fe51  1  0.550301  0.689345  0.674092  1
  Fe  Fe52  1  0.960444  0.379844  0.642390  1
  Fe  Fe53  1  0.310353  0.289625  0.657389  1
  Fe  Fe54  1  0.660735  0.204267  0.671604  1
  Fe  Fe55  1  0.903787  0.591891  0.690375  1
  Fe  Fe56  1  0.253265  0.505800  0.704489  1
  Fe  Fe57  1  0.600187  0.420927  0.718125  1
  Fe  Fe58  1  0.012290  0.107310  0.687886  1
  Fe  Fe59  1  0.361128  0.019121  0.702414  1
  Fe  Fe60  1  0.709979  0.936090  0.715709  1
