data_[Tl2H6S2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8679]
_cell_length_b [4.2383]
_cell_length_c [12.2107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlH3S]
_chemical_formula_sum '[Tl2 H6 S2]'
_cell_volume [199.9068]
_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  0.2387  0.7500  0.3905  1
  H  H1  4  0.0933  0.5238  0.8554  1
  H  H2  2  0.2534  0.2500  0.4953  1
  S  S3  2  0.3198  0.7500  0.8896  1
]