data_[Tl8Ag8Cl24]
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 [C2/c]
_cell_length_a [13.1139]
_cell_length_b [12.9553]
_cell_length_c [7.3809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgCl3]
_chemical_formula_sum '[Tl8 Ag8 Cl24]'
_cell_volume [1227.3652]
_cell_formula_units_Z [8]
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  0.0747  0.2500  1.0
  Tl  Tl1  4  0.0000  0.2864  0.7500  1.0
  Ag  Ag2  8  0.1014  0.4037  0.1793  1.0
  Cl  Cl3  8  0.1097  0.0690  0.6176  1.0
  Cl  Cl4  8  0.1267  0.4271  0.5369  1.0
  Cl  Cl5  8  0.1286  0.2096  0.1617  1.0
]