# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46754504
_cell_length_b   4.90572307
_cell_length_c   47.41626272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.32806202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   923.217796956
_cell_formula_units_Z   34
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  0.746902  0.296421  0.283383  1
  Fe  Fe2  1  0.305332  0.753605  0.294455  1
  Fe  Fe3  1  0.197820  0.205834  0.306944  1
  Fe  Fe4  1  0.756911  0.667793  0.320151  1
  Fe  Fe5  1  0.647808  0.118621  0.333959  1
  Fe  Fe6  1  0.208777  0.573253  0.346028  1
  Fe  Fe7  1  0.104030  0.030969  0.359606  1
  Fe  Fe8  1  0.665967  0.487541  0.372785  1
  Fe  Fe9  1  0.556377  0.940370  0.386060  1
  Fe  Fe10  1  0.120245  0.395996  0.399141  1
  Fe  Fe11  1  0.012674  0.851484  0.412396  1
  Fe  Fe12  1  0.576003  0.306650  0.425608  1
  Fe  Fe13  1  0.467531  0.761435  0.438815  1
  Fe  Fe14  1  0.031082  0.216723  0.452014  1
  Fe  Fe15  1  0.922957  0.671862  0.465213  1
  Fe  Fe16  1  0.486392  0.127019  0.478435  1
  Fe  Fe17  1  0.378174  0.582087  0.491628  1
  Fe  Fe18  1  0.941645  0.037292  0.504843  1
  Fe  Fe19  1  0.833427  0.492360  0.518036  1
  Fe  Fe20  1  0.396862  0.947517  0.531257  1
  Fe  Fe21  1  0.288738  0.402656  0.544456  1
  Fe  Fe22  1  0.852288  0.857944  0.557655  1
  Fe  Fe23  1  0.743816  0.312729  0.570863  1
  Fe  Fe24  1  0.307146  0.767895  0.584074  1
  Fe  Fe25  1  0.199574  0.223384  0.597329  1
  Fe  Fe26  1  0.763442  0.679009  0.610411  1
  Fe  Fe27  1  0.653852  0.131838  0.623685  1
  Fe  Fe28  1  0.215789  0.588410  0.636865  1
  Fe  Fe29  1  0.111043  0.046126  0.650443  1
  Fe  Fe30  1  0.672011  0.500759  0.662512  1
  Fe  Fe31  1  0.562909  0.951586  0.676319  1
  Fe  Fe32  1  0.121999  0.413545  0.689526  1
  Fe  Fe33  1  0.014487  0.865775  0.702016  1
  Fe  Fe34  1  0.572917  0.322958  0.713088  1
