data_[Tl9Cd3Ag9Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1952]
_cell_length_b [8.1952]
_cell_length_c [22.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3CdAg3Cl8]
_chemical_formula_sum '[Tl9 Cd3 Ag9 Cl24]'
_cell_volume [1283.6532]
_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
[
  Tl  Tl0  9  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  18  0.0159  0.5080  0.2324  1.0
  Cl  Cl4  6  0.0000  0.0000  0.2344  1.0
]