# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57676630
_cell_length_b   12.74995837
_cell_length_c   49.06298225
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.14538764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1603.49091855
_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  0.690179  0.885172  0.307562  1
  Fe  Fe2  1  0.856649  0.241764  0.278899  1
  Fe  Fe3  1  0.782795  0.565503  0.293448  1
  Fe  Fe4  1  0.283146  0.065231  0.293216  1
  Fe  Fe5  1  0.189661  0.385440  0.307635  1
  Fe  Fe6  1  0.353813  0.741490  0.279130  1
  Fe  Fe7  1  0.343192  0.849653  0.353272  1
  Fe  Fe8  1  0.555452  0.206388  0.323757  1
  Fe  Fe9  1  0.448810  0.528092  0.338547  1
  Fe  Fe10  1  0.949553  0.027464  0.338369  1
  Fe  Fe11  1  0.837253  0.349464  0.353236  1
  Fe  Fe12  1  0.053880  0.706565  0.324140  1
  Fe  Fe13  1  0.021798  0.813735  0.398853  1
  Fe  Fe14  1  0.221120  0.169971  0.368623  1
  Fe  Fe15  1  0.107633  0.492103  0.383644  1
  Fe  Fe16  1  0.614047  0.991470  0.383898  1
  Fe  Fe17  1  0.490239  0.312342  0.398597  1
  Fe  Fe18  1  0.720520  0.670922  0.369378  1
  Fe  Fe19  1  0.852304  0.779973  0.445298  1
  Fe  Fe20  1  0.889527  0.134312  0.413797  1
  Fe  Fe21  1  0.779753  0.453223  0.428286  1
  Fe  Fe22  1  0.250456  0.957118  0.429390  1
  Fe  Fe23  1  0.103877  0.277021  0.443883  1
  Fe  Fe24  1  0.362046  0.634578  0.414765  1
  Fe  Fe25  1  0.276037  0.744469  0.490352  1
  Fe  Fe26  1  0.673471  0.099217  0.459942  1
  Fe  Fe27  1  0.470276  0.421286  0.474281  1
  Fe  Fe28  1  0.497557  0.922256  0.475890  1
  Fe  Fe29  1  0.301593  0.242627  0.490388  1
  Fe  Fe30  1  0.709292  0.603184  0.460766  1
  Fe  Fe31  1  0.647969  0.704539  0.534919  1
  Fe  Fe32  1  0.055669  0.065097  0.505297  1
  Fe  Fe33  1  0.859704  0.385468  0.519795  1
  Fe  Fe34  1  0.886986  0.886438  0.521404  1
  Fe  Fe35  1  0.683791  0.208507  0.535743  1
  Fe  Fe36  1  0.081224  0.563254  0.505333  1
  Fe  Fe37  1  0.995216  0.673145  0.580920  1
  Fe  Fe38  1  0.253384  0.030703  0.551802  1
  Fe  Fe39  1  0.106806  0.350605  0.566295  1
  Fe  Fe40  1  0.577508  0.854501  0.567399  1
  Fe  Fe41  1  0.467734  0.173411  0.581888  1
  Fe  Fe42  1  0.504957  0.527751  0.550387  1
  Fe  Fe43  1  0.636742  0.636801  0.626307  1
  Fe  Fe44  1  0.867022  0.995382  0.597088  1
  Fe  Fe45  1  0.743214  0.316253  0.611787  1
  Fe  Fe46  1  0.249629  0.815621  0.612042  1
  Fe  Fe47  1  0.136141  0.137752  0.627063  1
  Fe  Fe48  1  0.335463  0.493988  0.596832  1
  Fe  Fe49  1  0.303382  0.601159  0.671545  1
  Fe  Fe50  1  0.520009  0.958260  0.642449  1
  Fe  Fe51  1  0.407709  0.280260  0.657316  1
  Fe  Fe52  1  0.908451  0.779631  0.657138  1
  Fe  Fe53  1  0.801809  0.101335  0.671928  1
  Fe  Fe54  1  0.014070  0.458071  0.642413  1
  Fe  Fe55  1  1.003449  0.566233  0.716556  1
  Fe  Fe56  1  0.167601  0.922283  0.688050  1
  Fe  Fe57  1  0.074115  0.242493  0.702469  1
  Fe  Fe58  1  0.574466  0.742221  0.702237  1
  Fe  Fe59  1  0.500612  0.065960  0.716786  1
  Fe  Fe60  1  0.667082  0.422552  0.688123  1
