data_[Tl20Ag4Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.5871]
_cell_length_b [12.5871]
_cell_length_c [12.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Tl5AgCl8]
_chemical_formula_sum '[Tl20 Ag4 Cl32]'
_cell_volume [1994.2456]
_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  16  0.1195  0.1195  0.6195  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.2500  1.0
  Cl  Cl3  16  0.1139  0.1139  0.8861  1.0
  Cl  Cl4  16  0.1267  0.1267  0.3733  1.0
]