data_[Tl2Ag6Cl12]
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 [7.0249]
_cell_length_b [6.8013]
_cell_length_c [12.5372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl(AgCl2)3]
_chemical_formula_sum '[Tl2 Ag6 Cl12]'
_cell_volume [504.6303]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.2801  0.0209  0.7586  1.0
  Ag  Ag2  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0750  0.1767  0.4172  1.0
  Cl  Cl4  4  0.2740  0.6763  0.4396  1.0
  Cl  Cl5  4  0.3519  0.1059  0.2366  1.0
]