# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11431724
_cell_length_b   8.98216612
_cell_length_c   47.63725892
_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   1760.45781072
_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  0.749846  0.059141  0.298686  1
  Fe  Fe2  1  0.749846  0.794824  0.284026  1
  Fe  Fe3  1  0.749846  0.511532  0.272929  1
  Fe  Fe4  1  0.249846  0.083261  0.271116  1
  Fe  Fe5  1  0.249846  0.626418  0.294121  1
  Fe  Fe6  1  0.249846  0.351457  0.281925  1
  Fe  Fe7  1  0.749846  0.858209  0.336347  1
  Fe  Fe8  1  0.749846  0.592116  0.322454  1
  Fe  Fe9  1  0.749846  0.322421  0.310033  1
  Fe  Fe10  1  0.249846  0.892428  0.308545  1
  Fe  Fe11  1  0.249846  0.433502  0.332411  1
  Fe  Fe12  1  0.249846  0.162158  0.322253  1
  Fe  Fe13  1  0.749846  0.663841  0.374722  1
  Fe  Fe14  1  0.749846  0.396278  0.361616  1
  Fe  Fe15  1  0.749846  0.126643  0.350019  1
  Fe  Fe16  1  0.249846  0.700131  0.346064  1
  Fe  Fe17  1  0.249846  0.240608  0.372275  1
  Fe  Fe18  1  0.249846  0.969042  0.359469  1
  Fe  Fe19  1  0.749846  0.470390  0.413388  1
  Fe  Fe20  1  0.749846  0.201887  0.400944  1
  Fe  Fe21  1  0.749846  0.932012  0.388169  1
  Fe  Fe22  1  0.249846  0.507955  0.384548  1
  Fe  Fe23  1  0.249846  0.045847  0.410346  1
  Fe  Fe24  1  0.249846  0.776031  0.397466  1
  Fe  Fe25  1  0.749846  0.276843  0.452197  1
  Fe  Fe26  1  0.749846  0.007841  0.439406  1
  Fe  Fe27  1  0.749846  0.738681  0.426404  1
  Fe  Fe28  1  0.249846  0.314754  0.423344  1
  Fe  Fe29  1  0.249846  0.852140  0.448630  1
  Fe  Fe30  1  0.249846  0.583163  0.435910  1
  Fe  Fe31  1  0.749846  0.083361  0.490674  1
  Fe  Fe32  1  0.749846  0.814385  0.477729  1
  Fe  Fe33  1  0.749846  0.545470  0.464859  1
  Fe  Fe34  1  0.249846  0.121093  0.461581  1
  Fe  Fe35  1  0.249846  0.658844  0.487111  1
  Fe  Fe36  1  0.249846  0.390007  0.474485  1
  Fe  Fe37  1  0.749846  0.889952  0.528993  1
  Fe  Fe38  1  0.749846  0.621038  0.516088  1
  Fe  Fe39  1  0.749846  0.352201  0.503462  1
  Fe  Fe40  1  0.249846  0.927684  0.499899  1
  Fe  Fe41  1  0.249846  0.465575  0.525715  1
  Fe  Fe42  1  0.249846  0.196660  0.512844  1
  Fe  Fe43  1  0.749846  0.696291  0.567229  1
  Fe  Fe44  1  0.749846  0.427882  0.554663  1
  Fe  Fe45  1  0.749846  0.158905  0.541944  1
  Fe  Fe46  1  0.249846  0.734202  0.538376  1
  Fe  Fe47  1  0.249846  0.272364  0.564169  1
  Fe  Fe48  1  0.249846  1.003203  0.551167  1
  Fe  Fe49  1  0.749846  0.503090  0.606026  1
  Fe  Fe50  1  0.749846  0.235014  0.593107  1
  Fe  Fe51  1  0.749846  0.965198  0.580228  1
  Fe  Fe52  1  0.249846  0.540655  0.577186  1
  Fe  Fe53  1  0.249846  0.079033  0.602405  1
  Fe  Fe54  1  0.249846  0.809158  0.589629  1
  Fe  Fe55  1  0.749846  0.310914  0.644510  1
  Fe  Fe56  1  0.749846  0.042003  0.631104  1
  Fe  Fe57  1  0.749846  0.770437  0.618298  1
  Fe  Fe58  1  0.249846  0.347204  0.615851  1
  Fe  Fe59  1  0.249846  0.884402  0.640554  1
  Fe  Fe60  1  0.249846  0.614767  0.628958  1
  Fe  Fe61  1  0.749846  0.118616  0.682028  1
  Fe  Fe62  1  0.749846  0.848887  0.668321  1
  Fe  Fe63  1  0.749846  0.577543  0.658162  1
  Fe  Fe64  1  0.249846  0.152836  0.654227  1
  Fe  Fe65  1  0.249846  0.688624  0.680541  1
  Fe  Fe66  1  0.249846  0.418929  0.668119  1
  Fe  Fe67  1  0.749846  0.927784  0.719457  1
  Fe  Fe68  1  0.749846  0.659588  0.708648  1
  Fe  Fe69  1  0.749846  0.384627  0.696452  1
  Fe  Fe70  1  0.249846  0.951904  0.691887  1
  Fe  Fe71  1  0.249846  0.499513  0.717644  1
  Fe  Fe72  1  0.249846  0.216221  0.706548  1
