data_[Tl4Cl6]
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 [Cm]
_cell_length_a [8.0205]
_cell_length_b [7.7863]
_cell_length_c [5.5945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2Cl3]
_chemical_formula_sum '[Tl4 Cl6]'
_cell_volume [348.9451]
_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  0.0757  0.0000  0.9251  1.0
  Tl  Tl1  2  0.4914  0.0000  0.5195  1.0
  Cl  Cl2  4  0.2283  0.2408  0.5438  1.0
  Cl  Cl3  2  0.4676  0.0000  0.0264  1.0
]