data_[Tl2S6Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7669]
_cell_length_b [8.0318]
_cell_length_c [8.3361]
_cell_angle_alpha [118.7357]
_cell_angle_beta [98.6384]
_cell_angle_gamma [98.6637]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl(SCl)3]
_chemical_formula_sum '[Tl2 S6 Cl6]'
_cell_volume [435.6588]
_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  0.4726  0.7318  0.4721  1
  S  S1  2  0.2144  0.0798  0.2463  1
  S  S2  2  0.2524  0.1042  0.0184  1
  S  S3  2  0.2545  0.8394  0.0194  1
  Cl  Cl4  2  0.2502  0.5444  0.1585  1
  Cl  Cl5  2  0.3105  0.0252  0.6194  1
  Cl  Cl6  2  0.3116  0.5389  0.6202  1
]