data_[Bi4I4O24]
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 [C2/c]
_cell_length_a [8.7810]
_cell_length_b [6.7135]
_cell_length_c [8.6141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiIO6]
_chemical_formula_sum '[Bi4 I4 O24]'
_cell_volume [507.1086]
_cell_formula_units_Z [4]
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  4  0.0000  0.0013  0.2500  1
  I  I1  4  0.2500  0.2500  0.5000  1
  O  O2  8  0.0744  0.3485  0.5894  1
  O  O3  8  0.1580  0.0058  0.0161  1
  O  O4  8  0.1585  0.2690  0.2962  1
]