data_[Tl2H2S1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  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 [4.3726]
_cell_length_b [6.4273]
_cell_length_c [6.6575]
_cell_angle_alpha [76.9780]
_cell_angle_beta [79.7902]
_cell_angle_gamma [79.2225]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2H2SCl2]
_chemical_formula_sum '[Tl2 H2 S1 Cl2]'
_cell_volume [177.2799]
_cell_formula_units_Z [1]
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  0.4992  0.2564  0.7355  1
  H  H1  2  0.0329  0.1620  0.1586  1
  S  S2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.1100  0.2957  0.2974  1
]