data_[Cs24S3I9Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.3693]
_cell_length_b [10.3693]
_cell_length_c [26.8335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs8S(ICl)3]
_chemical_formula_sum '[Cs24 S3 I9 Cl9]'
_cell_volume [2498.6822]
_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
[
  Cs  Cs0  18  0.0229  0.5114  0.7356  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2592  1.0
  S  S2  3  0.0000  0.0000  0.0000  1.0
  I  I3  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.0000  1.0
]