data_[Fe8O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3110]
_cell_length_b [5.3525]
_cell_length_c [6.8289]
_cell_angle_alpha [82.1509]
_cell_angle_beta [74.6692]
_cell_angle_gamma [80.7527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe8O9]
_chemical_formula_sum '[Fe8 O9]'
_cell_volume [183.8812]
_cell_formula_units_Z [1]
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  Fe0  2  0.1090  0.2105  0.5758  1.0
  Fe  Fe1  2  0.2095  0.4493  0.1180  1.0
  Fe  Fe2  2  0.3237  0.6821  0.6704  1.0
  Fe  Fe3  2  0.4501  0.8917  0.2140  1.0
  O  O4  2  0.0766  0.1199  0.2842  1.0
  O  O5  2  0.1655  0.3533  0.8444  1.0
  O  O6  2  0.2722  0.5486  0.3882  1.0
  O  O7  2  0.4142  0.7442  0.9433  1.0
  O  O8  1  0.5000  0.0000  0.5000  1.0
]