data_[Tl8Ag4Cl12]
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 [14.7435]
_cell_length_b [9.1305]
_cell_length_c [6.4917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgCl3]
_chemical_formula_sum '[Tl8 Ag4 Cl12]'
_cell_volume [873.8952]
_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  0.1606  0.3305  0.9942  1.0
  Ag  Ag1  4  0.0000  0.1575  0.5395  1.0
  Cl  Cl2  8  0.1455  0.3165  0.4857  1.0
  Cl  Cl3  4  0.0000  0.1190  0.9588  1.0
]