# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82594915
_cell_length_b   6.37830105
_cell_length_c   46.32120224
_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   834.928295125
_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  0.505186  0.079111  0.324152  1
  Fe  Fe2  1  0.505186  0.686106  0.293755  1
  Fe  Fe3  1  0.005186  0.377455  0.307386  1
  Fe  Fe4  1  0.005186  0.004218  0.281165  1
  Fe  Fe5  1  0.505186  0.877304  0.378314  1
  Fe  Fe6  1  0.505186  0.477645  0.350031  1
  Fe  Fe7  1  0.005186  0.179989  0.365012  1
  Fe  Fe8  1  0.005186  0.777155  0.336554  1
  Fe  Fe9  1  0.505186  0.676554  0.433698  1
  Fe  Fe10  1  0.505186  0.278025  0.406299  1
  Fe  Fe11  1  0.005186  0.976796  0.419936  1
  Fe  Fe12  1  0.005186  0.577122  0.391956  1
  Fe  Fe13  1  0.505186  0.475789  0.489296  1
  Fe  Fe14  1  0.505186  0.076064  0.461527  1
  Fe  Fe15  1  0.005186  0.775856  0.475370  1
  Fe  Fe16  1  0.005186  0.376795  0.447760  1
  Fe  Fe17  1  0.505186  0.274185  0.544631  1
  Fe  Fe18  1  0.505186  0.875124  0.517022  1
  Fe  Fe19  1  0.005186  0.574916  0.530865  1
  Fe  Fe20  1  0.005186  0.175191  0.503095  1
  Fe  Fe21  1  0.505186  0.073858  0.600436  1
  Fe  Fe22  1  0.505186  0.674184  0.572456  1
  Fe  Fe23  1  0.005186  0.372955  0.586092  1
  Fe  Fe24  1  0.005186  0.974426  0.558694  1
  Fe  Fe25  1  0.505186  0.873825  0.655838  1
  Fe  Fe26  1  0.505186  0.470991  0.627379  1
  Fe  Fe27  1  0.005186  0.173335  0.642360  1
  Fe  Fe28  1  0.005186  0.773676  0.614078  1
  Fe  Fe29  1  0.505186  0.646762  0.711227  1
  Fe  Fe30  1  0.505186  0.273525  0.685005  1
  Fe  Fe31  1  0.005186  0.964874  0.698637  1
  Fe  Fe32  1  0.005186  0.571869  0.668239  1
