data_[Tl2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7545]
_cell_length_b [8.9774]
_cell_length_c [9.6885]
_cell_angle_alpha [64.6680]
_cell_angle_beta [89.2640]
_cell_angle_gamma [78.2927]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCl3]
_chemical_formula_sum '[Tl2 Cl6]'
_cell_volume [288.0015]
_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  0.1099  0.2949  0.3249  1.0
  Cl  Cl1  2  0.0482  0.4039  0.7584  1.0
  Cl  Cl2  2  0.3353  0.8273  0.4598  1.0
  Cl  Cl3  2  0.3612  0.7669  0.8361  1.0
]