# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39551317
_cell_length_b   4.89883164
_cell_length_c   61.19041189
_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   Fe26
_cell_volume   681.233047978
_cell_formula_units_Z   26
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  1.198634  0.257871  0.172472  1
  Fe  Fe2  1  0.408252  0.729493  0.188190  1
  Fe  Fe3  1  0.622792  0.172601  0.206538  1
  Fe  Fe4  1  0.842539  0.624283  0.222051  1
  Fe  Fe5  1  1.051183  0.066126  0.239319  1
  Fe  Fe6  1  0.266546  0.515512  0.255525  1
  Fe  Fe7  1  0.481524  0.960565  0.272363  1
  Fe  Fe8  1  0.694055  0.408085  0.288824  1
  Fe  Fe9  1  0.910242  0.854221  0.305510  1
  Fe  Fe10  1  1.122589  0.301135  0.322061  1
  Fe  Fe11  1  0.338577  0.747620  0.338696  1
  Fe  Fe12  1  0.551249  0.194346  0.355275  1
  Fe  Fe13  1  0.766963  0.640930  0.371895  1
  Fe  Fe14  1  0.979788  0.087614  0.388481  1
  Fe  Fe15  1  1.195502  0.534198  0.405100  1
  Fe  Fe16  1  0.408175  0.980924  0.421680  1
  Fe  Fe17  1  0.624162  0.427408  0.438315  1
  Fe  Fe18  1  0.836510  0.874322  0.454865  1
  Fe  Fe19  1  1.052697  0.320458  0.471552  1
  Fe  Fe20  1  0.265227  0.767979  0.488013  1
  Fe  Fe21  1  0.480206  0.213032  0.504851  1
  Fe  Fe22  1  0.695569  0.662418  0.521057  1
  Fe  Fe23  1  0.904213  0.104261  0.538324  1
  Fe  Fe24  1  1.123959  0.555943  0.553838  1
  Fe  Fe25  1  0.338500  0.999050  0.572186  1
  Fe  Fe26  1  0.548118  0.470672  0.587904  1
