# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48611560
_cell_length_b   10.59592746
_cell_length_c   46.62054943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83195449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1219.3907455
_cell_formula_units_Z   48
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  0.052081  0.589948  0.292781  1
  Fe  Fe2  1  0.336705  0.160113  0.274360  1
  Fe  Fe3  1  0.653691  0.792916  0.306867  1
  Fe  Fe4  1  0.936675  0.359071  0.288507  1
  Fe  Fe5  1  0.487176  0.460627  0.330486  1
  Fe  Fe6  1  0.769043  0.024847  0.310623  1
  Fe  Fe7  1  0.087531  0.660936  0.343474  1
  Fe  Fe8  1  0.369585  0.225185  0.324960  1
  Fe  Fe9  1  0.921307  0.329071  0.366708  1
  Fe  Fe10  1  0.204434  0.895332  0.348936  1
  Fe  Fe11  1  0.521575  0.529277  0.381315  1
  Fe  Fe12  1  0.803938  0.094058  0.362201  1
  Fe  Fe13  1  0.356254  0.199143  0.403683  1
  Fe  Fe14  1  0.638853  0.764205  0.385320  1
  Fe  Fe15  1  0.955797  0.397887  0.418250  1
  Fe  Fe16  1  0.238745  0.963751  0.399923  1
  Fe  Fe17  1  0.791243  0.069368  0.440851  1
  Fe  Fe18  1  0.073757  0.634269  0.422420  1
  Fe  Fe19  1  0.390570  0.267641  0.455310  1
  Fe  Fe20  1  0.673236  0.832866  0.436885  1
  Fe  Fe21  1  0.225966  0.938992  0.477754  1
  Fe  Fe22  1  0.508474  0.503862  0.459244  1
  Fe  Fe23  1  0.825366  0.137416  0.492394  1
  Fe  Fe24  1  0.107924  0.702396  0.473911  1
  Fe  Fe25  1  0.660726  0.808687  0.514708  1
  Fe  Fe26  1  0.943284  0.373667  0.496224  1
  Fe  Fe27  1  0.260176  0.007221  0.529374  1
  Fe  Fe28  1  0.542684  0.572091  0.510864  1
  Fe  Fe29  1  0.095414  0.678217  0.551733  1
  Fe  Fe30  1  0.378080  0.243441  0.533308  1
  Fe  Fe31  1  0.694893  0.876814  0.566198  1
  Fe  Fe32  1  0.977407  0.441715  0.547767  1
  Fe  Fe33  1  0.529905  0.547332  0.588695  1
  Fe  Fe34  1  0.812852  0.113195  0.570369  1
  Fe  Fe35  1  0.129797  0.746878  0.603299  1
  Fe  Fe36  1  0.412396  0.311940  0.584935  1
  Fe  Fe37  1  0.964712  0.417025  0.626418  1
  Fe  Fe38  1  0.247075  0.981806  0.607304  1
  Fe  Fe39  1  0.564216  0.615751  0.639683  1
  Fe  Fe40  1  0.847343  0.182012  0.621911  1
  Fe  Fe41  1  0.399065  0.285898  0.663658  1
  Fe  Fe42  1  0.681118  0.850147  0.645144  1
  Fe  Fe43  1  0.999606  0.486235  0.677995  1
  Fe  Fe44  1  0.281473  0.050456  0.658132  1
  Fe  Fe45  1  0.831975  0.152012  0.700112  1
  Fe  Fe46  1  0.114959  0.718167  0.681752  1
  Fe  Fe47  1  0.431945  0.350970  0.714259  1
  Fe  Fe48  1  0.716568  0.921134  0.695837  1
