data_[Bi18I3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9965]
_cell_length_b [6.9965]
_cell_length_c [23.9373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Bi6IO8]
_chemical_formula_sum '[Bi18 I3 O24]'
_cell_volume [1014.7765]
_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
[
  Bi  Bi0  18  0.0183  0.3780  0.1049  1.0
  I  I1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0121  0.6370  0.8015  1.0
  O  O3  6  0.0000  0.0000  0.4051  1.0
]