data_[Tl2Ag2Cl6]
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 [Pm]
_cell_length_a [8.0930]
_cell_length_b [4.1703]
_cell_length_c [9.2321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlAgCl3]
_chemical_formula_sum '[Tl2 Ag2 Cl6]'
_cell_volume [292.1908]
_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  1  0.2108  0.5000  0.5943  1.0
  Tl  Tl1  1  0.6953  0.0000  0.5502  1.0
  Ag  Ag2  1  0.1849  0.0000  0.0906  1.0
  Ag  Ag3  1  0.6883  0.5000  0.0869  1.0
  Cl  Cl4  1  0.1350  0.0000  0.7566  1.0
  Cl  Cl5  1  0.2709  0.0000  0.4164  1.0
  Cl  Cl6  1  0.5262  0.0000  0.1562  1.0
  Cl  Cl7  1  0.5342  0.5000  0.7622  1.0
  Cl  Cl8  1  0.8925  0.5000  0.4071  1.0
  Cl  Cl9  1  0.9765  0.5000  0.0250  1.0
]