data_[Cs4Ba4S8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8781]
_cell_length_b [11.7070]
_cell_length_c [8.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBa(SO3)2]
_chemical_formula_sum '[Cs4 Ba4 S8 O24]'
_cell_volume [818.9656]
_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  4  0.0000  0.1600  0.7500  1
  Ba  Ba1  4  0.0000  0.4268  0.2500  1
  S  S2  8  0.1876  0.1174  0.2545  1
  O  O3  8  0.1432  0.3962  0.5966  1
  O  O4  8  0.1636  0.2414  0.2009  1
  O  O5  8  0.1940  0.0446  0.1122  1
]