data_[Tl4Cl8]
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 [P2/c]
_cell_length_a [19.0772]
_cell_length_b [6.6075]
_cell_length_c [12.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlCl2]
_chemical_formula_sum '[Tl4 Cl8]'
_cell_volume [1612.7058]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.0000  0.4912  0.2500  1
  Cl  Cl2  4  0.1069  0.3732  0.4465  1
  Cl  Cl3  2  0.0000  0.0651  0.7500  1
  Cl  Cl4  2  0.0000  0.5000  0.0000  1
]