data_[Tl12Ag4Cl24]
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 [Cmc2_1]
_cell_length_a [11.2851]
_cell_length_b [15.2388]
_cell_length_c [7.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3AgCl6]
_chemical_formula_sum '[Tl12 Ag4 Cl24]'
_cell_volume [1253.9513]
_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  8  0.2044  0.1209  0.9533  1.0
  Tl  Tl1  4  0.0000  0.3849  0.9244  1.0
  Ag  Ag2  4  0.0000  0.1577  0.5071  1.0
  Cl  Cl3  8  0.1817  0.2481  0.6684  1.0
  Cl  Cl4  8  0.1839  0.4954  0.1843  1.0
  Cl  Cl5  4  0.0000  0.0468  0.7716  1.0
  Cl  Cl6  4  0.0000  0.1899  0.1701  1.0
]