# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12183338
_cell_length_b   4.70930116
_cell_length_c   45.53995448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.79594167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1519.55001293
_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  0.509252  0.952378  0.315642  1
  Fe  Fe2  1  0.849655  0.931587  0.320688  1
  Fe  Fe3  1  0.188960  0.886175  0.332109  1
  Fe  Fe4  1  0.677951  0.457932  0.313194  1
  Fe  Fe5  1  0.011672  0.414895  0.324570  1
  Fe  Fe6  1  0.347939  0.387210  0.330248  1
  Fe  Fe7  1  0.543967  0.698800  0.361426  1
  Fe  Fe8  1  0.878980  0.663930  0.366365  1
  Fe  Fe9  1  0.217400  0.607723  0.377381  1
  Fe  Fe10  1  0.699380  0.201870  0.359214  1
  Fe  Fe11  1  0.037482  0.146988  0.370411  1
  Fe  Fe12  1  0.374853  0.110692  0.375480  1
  Fe  Fe13  1  0.570023  0.429129  0.406910  1
  Fe  Fe14  1  0.906134  0.395281  0.412164  1
  Fe  Fe15  1  0.244952  0.337439  0.423096  1
  Fe  Fe16  1  0.727585  0.933269  0.404906  1
  Fe  Fe17  1  0.066183  0.875869  0.415893  1
  Fe  Fe18  1  0.402371  0.841059  0.421184  1
  Fe  Fe19  1  0.597675  0.159710  0.452508  1
  Fe  Fe20  1  0.934023  0.124990  0.457760  1
  Fe  Fe21  1  0.272665  0.067373  0.468762  1
  Fe  Fe22  1  0.754866  0.663760  0.450559  1
  Fe  Fe23  1  0.093638  0.606018  0.461538  1
  Fe  Fe24  1  0.429869  0.571173  0.466836  1
  Fe  Fe25  1  0.625364  0.889876  0.498122  1
  Fe  Fe26  1  0.961659  0.855090  0.503400  1
  Fe  Fe27  1  0.300346  0.797429  0.514405  1
  Fe  Fe28  1  0.782591  0.393737  0.496174  1
  Fe  Fe29  1  0.121286  0.336093  0.507177  1
  Fe  Fe30  1  0.457563  0.301278  0.512468  1
  Fe  Fe31  1  0.653041  0.619998  0.543747  1
  Fe  Fe32  1  -0.010681  0.585184  0.549037  1
  Fe  Fe33  1  0.328014  0.527540  0.560041  1
  Fe  Fe34  1  0.810259  0.123848  0.541809  1
  Fe  Fe35  1  0.148945  0.066186  0.552815  1
  Fe  Fe36  1  0.485241  0.031400  0.558092  1
  Fe  Fe37  1  0.680736  0.350104  0.589379  1
  Fe  Fe38  1  0.016967  0.315258  0.594677  1
  Fe  Fe39  1  0.355738  0.257517  0.605656  1
  Fe  Fe40  1  0.837940  0.853904  0.587452  1
  Fe  Fe41  1  0.176581  0.796286  0.598455  1
  Fe  Fe42  1  0.512929  0.761566  0.603706  1
  Fe  Fe43  1  0.708233  0.080218  0.635031  1
  Fe  Fe44  1  0.044421  0.045408  0.640322  1
  Fe  Fe45  1  0.383020  0.988007  0.651309  1
  Fe  Fe46  1  0.865652  0.583838  0.633119  1
  Fe  Fe47  1  0.204471  0.525996  0.644051  1
  Fe  Fe48  1  0.540581  0.492148  0.649305  1
  Fe  Fe49  1  0.735752  0.810584  0.680735  1
  Fe  Fe50  1  0.073122  0.774288  0.685804  1
  Fe  Fe51  1  0.411225  0.719406  0.697000  1
  Fe  Fe52  1  0.893205  0.313554  0.678833  1
  Fe  Fe53  1  0.231625  0.257346  0.689850  1
  Fe  Fe54  1  0.566637  0.222477  0.694788  1
  Fe  Fe55  1  0.762665  0.534067  0.725967  1
  Fe  Fe56  1  0.098933  0.506381  0.731644  1
  Fe  Fe57  1  0.432653  0.463345  0.743021  1
  Fe  Fe58  1  0.921645  0.035102  0.724106  1
  Fe  Fe59  1  0.260949  0.989689  0.735526  1
  Fe  Fe60  1  0.601353  0.968898  0.740573  1
