# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46831560
_cell_length_b   13.13317624
_cell_length_c   47.78681398
_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   Fe60
_cell_volume   1549.09672866
_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  0.537429  0.457375  0.267523  1
  Fe  Fe2  1  0.480621  0.749292  0.295923  1
  Fe  Fe3  1  0.506573  0.102886  0.279580  1
  Fe  Fe4  1  0.900879  0.631241  0.260712  1
  Fe  Fe5  1  0.847733  0.928344  0.289295  1
  Fe  Fe6  1  0.163753  0.280077  0.274822  1
  Fe  Fe7  1  0.902237  0.394554  0.312448  1
  Fe  Fe8  1  0.827457  0.682832  0.342061  1
  Fe  Fe9  1  0.313458  0.038479  0.326069  1
  Fe  Fe10  1  0.211986  0.570951  0.305199  1
  Fe  Fe11  1  0.117127  0.858933  0.334398  1
  Fe  Fe12  1  0.689783  0.214528  0.318889  1
  Fe  Fe13  1  0.285317  0.326213  0.356970  1
  Fe  Fe14  1  0.179725  0.616513  0.387740  1
  Fe  Fe15  1  0.712890  0.971870  0.371413  1
  Fe  Fe16  1  0.553174  0.505099  0.350366  1
  Fe  Fe17  1  0.454869  0.793798  0.379932  1
  Fe  Fe18  1  0.999332  0.149114  0.364601  1
  Fe  Fe19  1  0.635622  0.260139  0.402338  1
  Fe  Fe20  1  0.541794  0.549817  0.433000  1
  Fe  Fe21  1  0.065931  0.906116  0.416970  1
  Fe  Fe22  1  0.914124  0.437909  0.395136  1
  Fe  Fe23  1  0.805811  0.727771  0.425463  1
  Fe  Fe24  1  0.352978  0.082817  0.409869  1
  Fe  Fe25  1  0.983983  0.194237  0.447792  1
  Fe  Fe26  1  0.924804  0.481832  0.477595  1
  Fe  Fe27  1  0.405329  0.840331  0.462137  1
  Fe  Fe28  1  0.274512  0.370940  0.440113  1
  Fe  Fe29  1  0.167428  0.661748  0.471168  1
  Fe  Fe30  1  0.704674  0.016819  0.455438  1
  Fe  Fe31  1  0.326980  0.128297  0.493165  1
  Fe  Fe32  1  0.243929  0.419134  0.523759  1
  Fe  Fe33  1  0.560759  0.775108  0.508775  1
  Fe  Fe34  1  0.618432  0.305930  0.485852  1
  Fe  Fe35  1  0.764733  0.595498  0.516439  1
  Fe  Fe36  1  0.073565  0.949900  0.501028  1
  Fe  Fe37  1  0.616137  0.062811  0.539114  1
  Fe  Fe38  1  0.695921  0.355057  0.569257  1
  Fe  Fe39  1  0.162660  0.708985  0.553772  1
  Fe  Fe40  1  0.971247  0.239777  0.531128  1
  Fe  Fe41  1  0.481525  0.533645  0.562239  1
  Fe  Fe42  1  0.839582  0.885116  0.547350  1
  Fe  Fe43  1  0.128623  0.999534  0.585062  1
  Fe  Fe44  1  0.974527  0.286610  0.614882  1
  Fe  Fe45  1  0.838378  0.644692  0.599661  1
  Fe  Fe46  1  0.332399  0.178910  0.576756  1
  Fe  Fe47  1  0.190497  0.466141  0.607645  1
  Fe  Fe48  1  0.487321  0.821228  0.592352  1
  Fe  Fe49  1  0.822715  0.931265  0.630684  1
  Fe  Fe50  1  0.325138  0.226222  0.660157  1
  Fe  Fe51  1  0.507206  0.581826  0.645061  1
  Fe  Fe52  1  0.617737  0.110129  0.622709  1
  Fe  Fe53  1  0.697147  0.402192  0.652863  1
  Fe  Fe54  1  0.163337  0.756451  0.638047  1
  Fe  Fe55  1  0.479809  0.867807  0.675936  1
  Fe  Fe56  1  0.635874  0.160276  0.704185  1
  Fe  Fe57  1  0.250499  0.512814  0.690092  1
  Fe  Fe58  1  0.085440  0.046453  0.668620  1
  Fe  Fe59  1  0.979819  0.334843  0.698338  1
  Fe  Fe60  1  0.850658  0.690150  0.683306  1
