# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07120607
_cell_length_b   4.65252828
_cell_length_c   43.81528017
_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   Fe32
_cell_volume   829.922807159
_cell_formula_units_Z   32
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  0.761832  0.278908  0.320359  1
  Fe  Fe2  1  0.261832  0.562626  0.332904  1
  Fe  Fe3  1  0.761832  0.818416  0.347472  1
  Fe  Fe4  1  0.261832  0.097208  0.359762  1
  Fe  Fe5  1  0.761832  0.365198  0.375331  1
  Fe  Fe6  1  0.261832  0.638674  0.388695  1
  Fe  Fe7  1  0.761832  0.908238  0.402714  1
  Fe  Fe8  1  0.261832  0.179493  0.416283  1
  Fe  Fe9  1  0.761832  0.451025  0.430741  1
  Fe  Fe10  1  0.261832  0.722577  0.444498  1
  Fe  Fe11  1  0.761832  -0.006749  0.458460  1
  Fe  Fe12  1  0.261832  0.264508  0.472299  1
  Fe  Fe13  1  0.761832  0.535811  0.486423  1
  Fe  Fe14  1  0.261832  0.807129  0.500301  1
  Fe  Fe15  1  0.761832  0.078096  0.514254  1
  Fe  Fe16  1  0.261832  0.349350  0.528154  1
  Fe  Fe17  1  0.761832  0.620610  0.542204  1
  Fe  Fe18  1  0.261832  0.891864  0.556104  1
  Fe  Fe19  1  0.761832  0.162831  0.570057  1
  Fe  Fe20  1  0.261832  0.434149  0.583935  1
  Fe  Fe21  1  0.761832  0.705452  0.598059  1
  Fe  Fe22  1  0.261832  0.976709  0.611898  1
  Fe  Fe23  1  0.761832  0.247382  0.625860  1
  Fe  Fe24  1  0.261832  0.518935  0.639617  1
  Fe  Fe25  1  0.761832  0.790466  0.654075  1
  Fe  Fe26  1  0.261832  0.061722  0.667644  1
  Fe  Fe27  1  0.761832  0.331286  0.681663  1
  Fe  Fe28  1  0.261832  0.604762  0.695027  1
  Fe  Fe29  1  0.761832  0.872752  0.710596  1
  Fe  Fe30  1  0.261832  0.151543  0.722887  1
  Fe  Fe31  1  0.761832  0.407334  0.737454  1
  Fe  Fe32  1  0.261832  0.691051  0.749999  1
