data_[Cs4Tl4Cd8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4502]
_cell_length_b [18.3820]
_cell_length_c [10.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTl(CdI3)2]
_chemical_formula_sum '[Cs4 Tl4 Cd8 I24]'
_cell_volume [2364.1884]
_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  0.0613  0.2500  1.0
  Tl  Tl1  4  0.0000  0.4823  0.7500  1.0
  Cd  Cd2  8  0.1746  0.3417  0.4522  1.0
  I  I3  8  0.0425  0.3746  0.0466  1.0
  I  I4  8  0.2136  0.0291  0.5842  1.0
  I  I5  8  0.2216  0.2212  0.2993  1.0
]