data_[Tl4Cd8Ag4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7359]
_cell_length_b [14.7855]
_cell_length_c [8.4663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd2AgI6]
_chemical_formula_sum '[Tl4 Cd8 Ag4 I24]'
_cell_volume [1841.9981]
_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
[
  Tl  Tl0  4  0.0000  0.1279  0.2500  1.0
  Cd  Cd1  8  0.1884  0.4270  0.2045  1.0
  Ag  Ag2  4  0.0000  0.2055  0.7500  1.0
  I  I3  8  0.1184  0.0655  0.6690  1.0
  I  I4  8  0.1237  0.4243  0.4838  1.0
  I  I5  8  0.1299  0.2538  0.0634  1.0
]