# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14496385
_cell_length_b   9.29652400
_cell_length_c   47.10947485
_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   Fe66
_cell_volume   1815.30500358
_cell_formula_units_Z   66
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  0.752453  0.037955  0.310615  1
  Fe  Fe2  1  0.752453  0.768581  0.296662  1
  Fe  Fe3  1  0.752453  0.498846  0.284622  1
  Fe  Fe4  1  0.252453  0.083737  0.281238  1
  Fe  Fe5  1  0.252453  0.617186  0.306725  1
  Fe  Fe6  1  0.252453  0.346893  0.293273  1
  Fe  Fe7  1  0.752453  0.847577  0.351409  1
  Fe  Fe8  1  0.752453  0.578180  0.338698  1
  Fe  Fe9  1  0.752453  0.308373  0.324932  1
  Fe  Fe10  1  0.252453  0.884379  0.319638  1
  Fe  Fe11  1  0.252453  0.424269  0.347581  1
  Fe  Fe12  1  0.252453  0.155394  0.333751  1
  Fe  Fe13  1  0.752453  0.656143  0.391557  1
  Fe  Fe14  1  0.752453  0.386078  0.378423  1
  Fe  Fe15  1  0.752453  0.116626  0.364787  1
  Fe  Fe16  1  0.252453  0.693809  0.360524  1
  Fe  Fe17  1  0.252453  0.231107  0.387176  1
  Fe  Fe18  1  0.252453  0.962353  0.373603  1
  Fe  Fe19  1  0.752453  0.464175  0.431514  1
  Fe  Fe20  1  0.752453  0.194630  0.418155  1
  Fe  Fe21  1  0.752453  0.925586  0.404696  1
  Fe  Fe22  1  0.252453  0.501225  0.400626  1
  Fe  Fe23  1  0.252453  0.039699  0.427093  1
  Fe  Fe24  1  0.252453  0.770792  0.413797  1
  Fe  Fe25  1  0.752453  0.272384  0.471393  1
  Fe  Fe26  1  0.752453  0.003034  0.458027  1
  Fe  Fe27  1  0.752453  0.733766  0.444711  1
  Fe  Fe28  1  0.252453  0.309104  0.440465  1
  Fe  Fe29  1  0.252453  0.848095  0.467054  1
  Fe  Fe30  1  0.252453  0.578759  0.453779  1
  Fe  Fe31  1  0.752453  0.080690  0.511300  1
  Fe  Fe32  1  0.752453  0.811278  0.497967  1
  Fe  Fe33  1  0.752453  0.541852  0.484685  1
  Fe  Fe34  1  0.252453  0.117415  0.480379  1
  Fe  Fe35  1  0.252453  0.656253  0.506995  1
  Fe  Fe36  1  0.252453  0.386827  0.493713  1
  Fe  Fe37  1  0.752453  0.889001  0.551214  1
  Fe  Fe38  1  0.752453  0.619346  0.537901  1
  Fe  Fe39  1  0.752453  0.350010  0.524625  1
  Fe  Fe40  1  0.252453  0.925721  0.520287  1
  Fe  Fe41  1  0.252453  0.464338  0.546968  1
  Fe  Fe42  1  0.252453  0.195071  0.533653  1
  Fe  Fe43  1  0.752453  0.696880  0.591053  1
  Fe  Fe44  1  0.752453  0.427313  0.577882  1
  Fe  Fe45  1  0.752453  0.158406  0.564587  1
  Fe  Fe46  1  0.252453  0.733929  0.560165  1
  Fe  Fe47  1  0.252453  0.272518  0.586983  1
  Fe  Fe48  1  0.252453  0.003475  0.573525  1
  Fe  Fe49  1  0.752453  0.504296  0.631155  1
  Fe  Fe50  1  0.752453  0.235752  0.618077  1
  Fe  Fe51  1  0.752453  0.966998  0.604503  1
  Fe  Fe52  1  0.252453  0.541962  0.600122  1
  Fe  Fe53  1  0.252453  0.081479  0.626892  1
  Fe  Fe54  1  0.252453  0.812027  0.613257  1
  Fe  Fe55  1  0.752453  0.313726  0.672041  1
  Fe  Fe56  1  0.752453  0.042710  0.657929  1
  Fe  Fe57  1  0.752453  0.773835  0.644098  1
  Fe  Fe58  1  0.252453  0.350528  0.640271  1
  Fe  Fe59  1  0.252453  0.889732  0.666748  1
  Fe  Fe60  1  0.252453  0.619924  0.652981  1
  Fe  Fe61  1  0.752453  0.114367  0.710441  1
  Fe  Fe62  1  0.752453  0.851212  0.698407  1
  Fe  Fe63  1  0.752453  0.580919  0.684954  1
  Fe  Fe64  1  0.252453  0.160150  0.681064  1
  Fe  Fe65  1  0.252453  0.699258  0.707057  1
  Fe  Fe66  1  0.252453  0.429524  0.695017  1
