# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61550806
_cell_length_b   8.62834473
_cell_length_c   43.60861367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.68863890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1679.91990167
_cell_formula_units_Z   64
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  0.589254  0.886565  0.312917  1
  Fe  Fe2  1  0.815243  0.380505  0.325543  1
  Fe  Fe3  1  0.971527  0.141791  0.307456  1
  Fe  Fe4  1  0.201012  0.634267  0.319729  1
  Fe  Fe5  1  0.055449  0.875467  0.338593  1
  Fe  Fe6  1  0.275286  0.360606  0.351201  1
  Fe  Fe7  1  0.443896  0.124946  0.332140  1
  Fe  Fe8  1  0.667742  0.620432  0.345352  1
  Fe  Fe9  1  0.497621  0.847502  0.367264  1
  Fe  Fe10  1  0.721388  0.337650  0.380516  1
  Fe  Fe11  1  0.887188  0.103780  0.360827  1
  Fe  Fe12  1  0.110461  0.591538  0.373876  1
  Fe  Fe13  1  0.950637  0.826120  0.394533  1
  Fe  Fe14  1  0.173963  0.315011  0.407993  1
  Fe  Fe15  1  0.338679  0.081834  0.387770  1
  Fe  Fe16  1  0.562068  0.570518  0.401238  1
  Fe  Fe17  1  0.398663  0.802593  0.422678  1
  Fe  Fe18  1  0.622744  0.291914  0.436260  1
  Fe  Fe19  1  0.786554  0.058569  0.415919  1
  Fe  Fe20  1  0.010495  0.547115  0.429409  1
  Fe  Fe21  1  0.849115  0.780318  0.450324  1
  Fe  Fe22  1  0.073272  0.269129  0.464018  1
  Fe  Fe23  1  0.236888  0.036001  0.443427  1
  Fe  Fe24  1  0.460957  0.524772  0.457113  1
  Fe  Fe25  1  0.298233  0.757327  0.478274  1
  Fe  Fe26  1  0.522646  0.246241  0.492003  1
  Fe  Fe27  1  0.685943  0.013105  0.471388  1
  Fe  Fe28  1  0.910256  0.501769  0.485082  1
  Fe  Fe29  1  0.748242  0.734752  0.506048  1
  Fe  Fe30  1  0.972635  0.223476  0.519800  1
  Fe  Fe31  1  0.135905  0.990404  0.499117  1
  Fe  Fe32  1  0.360280  0.479177  0.512874  1
  Fe  Fe33  1  0.197665  0.711856  0.533962  1
  Fe  Fe34  1  0.422040  0.200629  0.547720  1
  Fe  Fe35  1  0.585311  0.967557  0.527037  1
  Fe  Fe36  1  0.809703  0.456282  0.540789  1
  Fe  Fe37  1  0.647689  0.689264  0.561755  1
  Fe  Fe38  1  0.872002  0.177928  0.575449  1
  Fe  Fe39  1  0.035300  0.944792  0.554834  1
  Fe  Fe40  1  0.259713  0.433707  0.568563  1
  Fe  Fe41  1  0.096989  0.666261  0.589724  1
  Fe  Fe42  1  0.321057  0.155032  0.603410  1
  Fe  Fe43  1  0.484673  0.921905  0.582819  1
  Fe  Fe44  1  0.708831  0.410716  0.596513  1
  Fe  Fe45  1  0.547450  0.643918  0.617428  1
  Fe  Fe46  1  0.771391  0.132464  0.630917  1
  Fe  Fe47  1  0.935201  0.899120  0.610577  1
  Fe  Fe48  1  0.159282  0.388441  0.624159  1
  Fe  Fe49  1  -0.004122  0.620515  0.645599  1
  Fe  Fe50  1  0.219266  0.109200  0.659067  1
  Fe  Fe51  1  0.383983  0.876022  0.638844  1
  Fe  Fe52  1  0.607308  0.364914  0.652304  1
  Fe  Fe53  1  0.447485  0.599495  0.672961  1
  Fe  Fe54  1  0.670757  0.087253  0.686010  1
  Fe  Fe55  1  0.836557  0.853383  0.666321  1
  Fe  Fe56  1  0.060325  0.343532  0.679573  1
  Fe  Fe57  1  0.890204  0.570601  0.701484  1
  Fe  Fe58  1  0.114049  0.066087  0.714697  1
  Fe  Fe59  1  0.282659  0.830428  0.695636  1
  Fe  Fe60  1  0.502496  0.315566  0.708244  1
  Fe  Fe61  1  0.356933  0.556766  0.727108  1
  Fe  Fe62  1  0.586418  0.049242  0.739381  1
  Fe  Fe63  1  0.742703  0.810528  0.721294  1
  Fe  Fe64  1  0.968691  0.304468  0.733920  1
