data_[Tl4Ag32S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.0328]
_cell_length_b [11.0328]
_cell_length_c [11.0328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [TlAg8S5]
_chemical_formula_sum '[Tl4 Ag32 S20]'
_cell_volume [1342.9478]
_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  0.2500  0.2500  0.2500  1
  Ag  Ag1  16  0.0973  0.0973  0.4027  1
  Ag  Ag2  16  0.1274  0.1274  0.8726  1
  S  S3  16  0.1331  0.1331  0.6331  1
  S  S4  4  0.0000  0.0000  0.0000  1
]