data_[Tl2S2Cl12]
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 [C2/m]
_cell_length_a [10.1275]
_cell_length_b [8.5860]
_cell_length_c [7.0971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlSCl6]
_chemical_formula_sum '[Tl2 S2 Cl12]'
_cell_volume [499.0076]
_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  0.0000  0.5000  0.5000  1
  S  S1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1395  0.1866  0.2796  1
  Cl  Cl3  4  0.1955  0.0000  0.9401  1
]