# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44079255
_cell_length_b   11.13318805
_cell_length_c   52.23505692
_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   2000.9678299
_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  0.517614  0.263270  0.291856  1
  Fe  Fe2  1  0.517614  0.971926  0.268192  1
  Fe  Fe3  1  0.517614  0.678202  0.246598  1
  Fe  Fe4  1  0.017614  0.117467  0.279929  1
  Fe  Fe5  1  0.017614  0.827590  0.256736  1
  Fe  Fe6  1  0.017614  0.408486  0.303740  1
  Fe  Fe7  1  0.017614  0.327590  0.256736  1
  Fe  Fe8  1  0.017614  0.908486  0.303740  1
  Fe  Fe9  1  0.017614  0.617467  0.279929  1
  Fe  Fe10  1  0.517614  0.178202  0.246598  1
  Fe  Fe11  1  0.517614  0.763270  0.291856  1
  Fe  Fe12  1  0.517614  0.471926  0.268192  1
  Fe  Fe13  1  0.517614  0.134573  0.363225  1
  Fe  Fe14  1  0.517614  0.844456  0.339422  1
  Fe  Fe15  1  0.517614  0.554470  0.315205  1
  Fe  Fe16  1  0.017614  0.989625  0.351268  1
  Fe  Fe17  1  0.017614  0.699080  0.327518  1
  Fe  Fe18  1  0.017614  0.279676  0.375209  1
  Fe  Fe19  1  0.017614  0.199080  0.327518  1
  Fe  Fe20  1  0.017614  0.779676  0.375209  1
  Fe  Fe21  1  0.017614  0.489625  0.351268  1
  Fe  Fe22  1  0.517614  0.054470  0.315205  1
  Fe  Fe23  1  0.517614  0.634573  0.363225  1
  Fe  Fe24  1  0.517614  0.344456  0.339422  1
  Fe  Fe25  1  0.517614  1.004969  0.434925  1
  Fe  Fe26  1  0.517614  0.714844  0.411032  1
  Fe  Fe27  1  0.517614  0.424730  0.387159  1
  Fe  Fe28  1  0.017614  0.859898  0.422990  1
  Fe  Fe29  1  0.017614  0.569816  0.399070  1
  Fe  Fe30  1  1.017614  0.150019  0.446870  1
  Fe  Fe31  1  0.017614  0.069816  0.399070  1
  Fe  Fe32  1  1.017614  0.650019  0.446870  1
  Fe  Fe33  1  0.017614  0.359898  0.422990  1
  Fe  Fe34  1  0.517614  0.924730  0.387159  1
  Fe  Fe35  1  0.517614  0.504969  0.434925  1
  Fe  Fe36  1  0.517614  0.214844  0.411032  1
  Fe  Fe37  1  0.517614  0.875272  0.506625  1
  Fe  Fe38  1  0.517614  0.585190  0.482706  1
  Fe  Fe39  1  0.517614  0.295069  0.458825  1
  Fe  Fe40  1  1.017614  0.730244  0.494663  1
  Fe  Fe41  1  1.017614  0.440119  0.470770  1
  Fe  Fe42  1  1.017614  0.020358  0.518536  1
  Fe  Fe43  1  1.017614  0.940119  0.470770  1
  Fe  Fe44  1  1.017614  0.520358  0.518536  1
  Fe  Fe45  1  1.017614  0.230244  0.494663  1
  Fe  Fe46  1  0.517614  0.795069  0.458825  1
  Fe  Fe47  1  0.517614  0.375272  0.506625  1
  Fe  Fe48  1  0.517614  0.085190  0.482706  1
  Fe  Fe49  1  0.517614  0.746008  0.578177  1
  Fe  Fe50  1  0.517614  0.455463  0.554427  1
  Fe  Fe51  1  0.517614  0.165412  0.530486  1
  Fe  Fe52  1  1.017614  0.600633  0.566273  1
  Fe  Fe53  1  1.017614  0.310515  0.542470  1
  Fe  Fe54  1  1.017614  0.890619  0.590490  1
  Fe  Fe55  1  1.017614  0.810515  0.542470  1
  Fe  Fe56  1  1.017614  0.390619  0.590490  1
  Fe  Fe57  1  1.017614  0.100633  0.566273  1
  Fe  Fe58  1  0.517614  0.665412  0.530486  1
  Fe  Fe59  1  0.517614  0.246008  0.578177  1
  Fe  Fe60  1  0.517614  0.955463  0.554427  1
  Fe  Fe61  1  0.517614  0.617498  0.648959  1
  Fe  Fe62  1  0.517614  0.327621  0.625766  1
  Fe  Fe63  1  0.517614  0.036602  0.601955  1
  Fe  Fe64  1  1.017614  0.473162  0.637503  1
  Fe  Fe65  1  1.017614  0.181818  0.613839  1
  Fe  Fe66  1  1.017614  0.766887  0.659097  1
  Fe  Fe67  1  1.017614  0.681818  0.613839  1
  Fe  Fe68  1  1.017614  0.266887  0.659097  1
  Fe  Fe69  1  1.017614  0.973162  0.637503  1
  Fe  Fe70  1  0.517614  0.536602  0.601955  1
  Fe  Fe71  1  0.517614  0.117498  0.648959  1
  Fe  Fe72  1  0.517614  0.827621  0.625766  1
