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 [P-1]
_cell_length_a [4.8084]
_cell_length_b [7.9702]
_cell_length_c [8.6594]
_cell_angle_alpha [96.1476]
_cell_angle_beta [90.8101]
_cell_angle_gamma [101.5376]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAgCl3]
_chemical_formula_sum '[Tl2 Ag2 Cl6]'
_cell_volume [323.0690]
_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  0.2135  0.5349  0.2471  1.0
  Ag  Ag1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2028  0.9560  0.2349  1.0
  Cl  Cl4  2  0.2273  0.2984  0.5326  1.0
  Cl  Cl5  2  0.3635  0.6962  0.9218  1.0
]