data_[Cs24I4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [17.1181]
_cell_length_b [18.2757]
_cell_length_c [7.0126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs6IO2]
_chemical_formula_sum '[Cs24 I4 O8]'
_cell_volume [2192.7004]
_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
[
  Cs  Cs0  8  0.1220  0.0925  0.7480  1
  Cs  Cs1  8  0.1365  0.3074  0.2077  1
  Cs  Cs2  8  0.1855  0.4427  0.6759  1
  I  I3  4  0.0000  0.1078  0.2500  1
  O  O4  8  0.2257  0.4184  0.2899  1
]