data_[Tl2Ag8Cl12]
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 [Cm]
_cell_length_a [7.6025]
_cell_length_b [7.4676]
_cell_length_c [10.2203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl(Ag2Cl3)2]
_chemical_formula_sum '[Tl2 Ag8 Cl12]'
_cell_volume [569.3864]
_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  0.1091  0.0000  0.0528  1
  Ag  Ag1  4  0.2699  0.2478  0.7070  1
  Ag  Ag2  2  0.4180  0.5000  0.3700  1
  Ag  Ag3  2  0.4395  0.0000  0.3660  1
  Cl  Cl4  4  0.1625  0.2435  0.3047  1
  Cl  Cl5  4  0.3355  0.2506  0.9630  1
  Cl  Cl6  2  0.0005  0.5000  0.6282  1
  Cl  Cl7  2  0.4996  0.5000  0.6339  1
]