data_[Tl4H2S2Cl2]
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 [P2_1/m]
_cell_length_a [8.0302]
_cell_length_b [4.6097]
_cell_length_c [8.7041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2HSCl]
_chemical_formula_sum '[Tl4 H2 S2 Cl2]'
_cell_volume [298.2264]
_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  0.2616  0.7500  0.4350  1.0
  Tl  Tl1  2  0.2660  0.2500  0.9776  1.0
  H  H2  2  0.0734  0.7500  0.6685  1.0
  S  S3  2  0.0090  0.2500  0.2217  1.0
  Cl  Cl4  2  0.4867  0.2500  0.7461  1.0
]