# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64528655
_cell_length_b   11.50440290
_cell_length_c   48.88019573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe72
_cell_volume   2049.88119697
_cell_formula_units_Z   72
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  1.001784  0.202815  0.330460  1
  Fe  Fe2  1  1.001784  0.904601  0.305341  1
  Fe  Fe3  1  1.001784  0.597402  0.283704  1
  Fe  Fe4  1  0.501784  0.053089  0.317341  1
  Fe  Fe5  1  0.501784  0.750266  0.294183  1
  Fe  Fe6  1  0.501784  0.354165  0.342676  1
  Fe  Fe7  1  0.501784  0.250724  0.294936  1
  Fe  Fe8  1  0.501784  0.854276  0.342002  1
  Fe  Fe9  1  0.501784  0.551479  0.318873  1
  Fe  Fe10  1  1.001784  0.004066  0.353839  1
  Fe  Fe11  1  1.001784  0.704270  0.330721  1
  Fe  Fe12  1  1.001784  0.399793  0.305853  1
  Fe  Fe13  1  1.001784  0.103382  0.401785  1
  Fe  Fe14  1  1.001784  0.804526  0.377914  1
  Fe  Fe15  1  1.001784  0.503916  0.354612  1
  Fe  Fe16  1  0.501784  0.953824  0.389701  1
  Fe  Fe17  1  0.501784  0.654451  0.366297  1
  Fe  Fe18  1  0.501784  0.253502  0.413829  1
  Fe  Fe19  1  0.501784  0.153739  0.366277  1
  Fe  Fe20  1  0.501784  0.754050  0.413739  1
  Fe  Fe21  1  0.501784  0.454038  0.390163  1
  Fe  Fe22  1  1.001784  0.903574  0.425554  1
  Fe  Fe23  1  1.001784  0.604242  0.401982  1
  Fe  Fe24  1  1.001784  0.303853  0.378218  1
  Fe  Fe25  1  1.001784  0.003013  0.473200  1
  Fe  Fe26  1  1.001784  0.703550  0.449462  1
  Fe  Fe27  1  1.001784  0.403609  0.425745  1
  Fe  Fe28  1  0.501784  0.853289  0.461314  1
  Fe  Fe29  1  0.501784  0.553663  0.437615  1
  Fe  Fe30  1  0.501784  0.152809  0.485105  1
  Fe  Fe31  1  0.501784  0.053195  0.437474  1
  Fe  Fe32  1  0.501784  0.653026  0.485130  1
  Fe  Fe33  1  0.501784  0.353114  0.461357  1
  Fe  Fe34  1  1.001784  0.802915  0.497015  1
  Fe  Fe35  1  1.001784  0.503098  0.473249  1
  Fe  Fe36  1  1.001784  0.203096  0.449428  1
  Fe  Fe37  1  1.001784  0.902480  0.544592  1
  Fe  Fe38  1  1.001784  0.602478  0.520771  1
  Fe  Fe39  1  1.001784  0.302661  0.497005  1
  Fe  Fe40  1  0.501784  0.752462  0.532663  1
  Fe  Fe41  1  0.501784  0.452550  0.508890  1
  Fe  Fe42  1  0.501784  0.052381  0.556546  1
  Fe  Fe43  1  0.501784  0.952767  0.508916  1
  Fe  Fe44  1  0.501784  0.551913  0.556405  1
  Fe  Fe45  1  0.501784  0.252287  0.532706  1
  Fe  Fe46  1  1.001784  0.701967  0.568275  1
  Fe  Fe47  1  1.001784  0.402026  0.544558  1
  Fe  Fe48  1  1.001784  0.102563  0.520820  1
  Fe  Fe49  1  1.001784  0.801722  0.615802  1
  Fe  Fe50  1  1.001784  0.501334  0.592038  1
  Fe  Fe51  1  1.001784  0.202001  0.568466  1
  Fe  Fe52  1  0.501784  0.651538  0.603858  1
  Fe  Fe53  1  0.501784  0.351526  0.580282  1
  Fe  Fe54  1  0.501784  0.951837  0.627743  1
  Fe  Fe55  1  0.501784  0.852074  0.580191  1
  Fe  Fe56  1  0.501784  0.451125  0.627723  1
  Fe  Fe57  1  0.501784  0.151752  0.604319  1
  Fe  Fe58  1  1.001784  0.601660  0.639409  1
  Fe  Fe59  1  1.001784  0.301050  0.616106  1
  Fe  Fe60  1  1.001784  1.002194  0.592236  1
  Fe  Fe61  1  1.001784  0.705782  0.688167  1
  Fe  Fe62  1  1.001784  0.401306  0.663300  1
  Fe  Fe63  1  1.001784  0.101510  0.640181  1
  Fe  Fe64  1  0.501784  0.554097  0.675147  1
  Fe  Fe65  1  0.501784  0.251300  0.652019  1
  Fe  Fe66  1  0.501784  0.854852  0.699085  1
  Fe  Fe67  1  0.501784  0.751410  0.651345  1
  Fe  Fe68  1  0.501784  0.355309  0.699838  1
  Fe  Fe69  1  0.501784  0.052487  0.676679  1
  Fe  Fe70  1  1.001784  0.508174  0.710317  1
  Fe  Fe71  1  1.001784  0.200975  0.688679  1
  Fe  Fe72  1  1.001784  0.902760  0.663560  1
