# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06284121
_cell_length_b   6.38812684
_cell_length_c   47.69690087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe44
_cell_volume   1174.3966274
_cell_formula_units_Z   44
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  0.661651  0.446803  0.296338  1
  Fe  Fe2  1  0.875359  0.874955  0.316106  1
  Fe  Fe3  1  0.048857  0.220600  0.287003  1
  Fe  Fe4  1  0.266310  0.656672  0.306028  1
  Fe  Fe5  1  0.099473  0.323312  0.335844  1
  Fe  Fe6  1  0.322476  0.769693  0.355478  1
  Fe  Fe7  1  0.488102  0.100382  0.323683  1
  Fe  Fe8  1  0.710173  0.544936  0.345902  1
  Fe  Fe9  1  0.542517  0.210165  0.375104  1
  Fe  Fe10  1  0.765470  0.656385  0.395688  1
  Fe  Fe11  1  0.932421  0.989795  0.365488  1
  Fe  Fe12  1  0.154445  0.434161  0.385676  1
  Fe  Fe13  1  0.987112  0.100026  0.415582  1
  Fe  Fe14  1  0.209103  0.544330  0.435714  1
  Fe  Fe15  1  0.376340  0.878303  0.405617  1
  Fe  Fe16  1  0.597965  0.321891  0.425514  1
  Fe  Fe17  1  0.431040  0.988548  0.455712  1
  Fe  Fe18  1  0.652859  0.432522  0.475733  1
  Fe  Fe19  1  0.820087  0.766470  0.445727  1
  Fe  Fe20  1  0.041909  0.210458  0.465711  1
  Fe  Fe21  1  0.874818  0.876774  0.495819  1
  Fe  Fe22  1  0.096695  0.320870  0.515831  1
  Fe  Fe23  1  0.263879  0.654727  0.485807  1
  Fe  Fe24  1  0.485757  0.098824  0.505819  1
  Fe  Fe25  1  0.318665  0.765140  0.535927  1
  Fe  Fe26  1  0.540487  0.209127  0.555910  1
  Fe  Fe27  1  0.707715  0.543076  0.525904  1
  Fe  Fe28  1  0.929535  0.987050  0.545926  1
  Fe  Fe29  1  0.762610  0.653706  0.576124  1
  Fe  Fe30  1  0.984235  0.097295  0.596021  1
  Fe  Fe31  1  0.151472  0.431268  0.565923  1
  Fe  Fe32  1  0.373462  0.875571  0.586056  1
  Fe  Fe33  1  0.206130  0.541436  0.615961  1
  Fe  Fe34  1  0.428153  0.985802  0.636150  1
  Fe  Fe35  1  0.595105  0.319213  0.605949  1
  Fe  Fe36  1  0.818057  0.765432  0.626533  1
  Fe  Fe37  1  0.650401  0.430661  0.655735  1
  Fe  Fe38  1  0.872473  0.875215  0.677954  1
  Fe  Fe39  1  0.038098  0.205905  0.646160  1
  Fe  Fe40  1  0.261102  0.652286  0.665793  1
  Fe  Fe41  1  0.094264  0.318925  0.695610  1
  Fe  Fe42  1  0.311718  0.754998  0.714634  1
  Fe  Fe43  1  0.485216  0.100642  0.685532  1
  Fe  Fe44  1  0.698924  0.528794  0.705299  1
