data_[Fe69O96]
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 [R-3m]
_cell_length_a [11.7309]
_cell_length_b [11.7309]
_cell_length_c [14.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Fe23O32]
_chemical_formula_sum '[Fe69 O96]'
_cell_volume [1728.0125]
_cell_formula_units_Z [3]
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  18  0.0000  0.2533  0.0000  1
  Fe  Fe1  18  0.0030  0.5015  0.1217  1
  Fe  Fe2  18  0.0815  0.1629  0.6649  1
  Fe  Fe3  9  0.0000  0.5000  0.5000  1
  Fe  Fe4  6  0.0000  0.0000  0.1298  1
  O  O5  36  0.0161  0.2499  0.7502  1
  O  O6  18  0.0147  0.5073  0.2566  1
  O  O7  18  0.0808  0.1617  0.3984  1
  O  O8  18  0.0902  0.1804  0.9127  1
  O  O9  6  0.0000  0.0000  0.2633  1
]