data_[Tl4Ag4Cl8]
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/m]
_cell_length_a [16.0610]
_cell_length_b [4.2601]
_cell_length_c [7.8419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlAgCl2]
_chemical_formula_sum '[Tl4 Ag4 Cl8]'
_cell_volume [489.4168]
_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  0.1307  0.0000  0.0775  1.0
  Ag  Ag1  4  0.1045  0.5000  0.5930  1.0
  Cl  Cl2  4  0.0143  0.5000  0.2355  1.0
  Cl  Cl3  4  0.2028  0.0000  0.7419  1.0
]