data_[Tl4Ag4Cl12]
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 [P2_1/c]
_cell_length_a [9.3579]
_cell_length_b [7.3544]
_cell_length_c [9.6217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlAgCl3]
_chemical_formula_sum '[Tl4 Ag4 Cl12]'
_cell_volume [587.3496]
_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  0.3788  0.7183  0.8878  1.0
  Ag  Ag1  4  0.1027  0.2454  0.6114  1.0
  Cl  Cl2  4  0.1046  0.1460  0.3609  1.0
  Cl  Cl3  4  0.1721  0.6385  0.5364  1.0
  Cl  Cl4  4  0.3698  0.1122  0.7595  1.0
]