# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54730317
_cell_length_b   6.63823697
_cell_length_c   49.00283108
_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   828.618373462
_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  0.561378  0.036784  0.305390  1
  Fe  Fe2  1  0.561378  0.588381  0.269412  1
  Fe  Fe3  1  0.061378  0.267204  0.273875  1
  Fe  Fe4  1  0.061378  0.909285  0.264214  1
  Fe  Fe5  1  0.561378  0.845684  0.349103  1
  Fe  Fe6  1  0.561378  0.403469  0.314348  1
  Fe  Fe7  1  0.061378  0.175248  0.344748  1
  Fe  Fe8  1  0.061378  0.718852  0.309095  1
  Fe  Fe9  1  0.561378  0.676925  0.401150  1
  Fe  Fe10  1  0.561378  0.303080  0.386939  1
  Fe  Fe11  1  0.061378  -0.016081  0.387120  1
  Fe  Fe12  1  0.061378  0.534268  0.357176  1
  Fe  Fe13  1  0.561378  0.474742  0.470312  1
  Fe  Fe14  1  0.561378  0.057601  0.428115  1
  Fe  Fe15  1  0.061378  0.761279  0.447556  1
  Fe  Fe16  1  0.061378  0.399022  0.428311  1
  Fe  Fe17  1  0.561378  0.214359  0.511331  1
  Fe  Fe18  1  0.561378  0.852102  0.492086  1
  Fe  Fe19  1  0.061378  0.555780  0.511526  1
  Fe  Fe20  1  0.061378  0.138639  0.469330  1
  Fe  Fe21  1  0.561378  0.079113  0.582465  1
  Fe  Fe22  1  0.561378  0.629462  0.552521  1
  Fe  Fe23  1  0.061378  0.310301  0.552703  1
  Fe  Fe24  1  0.061378  0.936456  0.538491  1
  Fe  Fe25  1  0.561378  0.894529  0.630546  1
  Fe  Fe26  1  0.561378  0.438133  0.594893  1
  Fe  Fe27  1  0.061378  0.209912  0.625293  1
  Fe  Fe28  1  0.061378  0.767697  0.590539  1
  Fe  Fe29  1  0.561378  0.704096  0.675427  1
  Fe  Fe30  1  0.561378  0.346177  0.665766  1
  Fe  Fe31  1  0.061378  0.025000  0.670229  1
  Fe  Fe32  1  0.061378  0.576597  0.634251  1
