data_[Cs4Ca4S8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  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 [8.5809]
_cell_length_b [11.2854]
_cell_length_c [8.8940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCa(SO3)2]
_chemical_formula_sum '[Cs4 Ca4 S8 O24]'
_cell_volume [760.0089]
_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  0.1820  0.7500  1
  Ca  Ca1  4  0.0000  0.3797  0.2500  1
  S  S2  8  0.1978  0.1010  0.2834  1
  O  O3  8  0.1448  0.2171  0.1851  1
  O  O4  8  0.1480  0.3741  0.5438  1
  O  O5  8  0.2414  0.4848  0.8097  1
]