data_[Tl2H4S2]
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 [C2]
_cell_length_a [5.5966]
_cell_length_b [5.4932]
_cell_length_c [6.6086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlH2S]
_chemical_formula_sum '[Tl2 H4 S2]'
_cell_volume [190.0439]
_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  0.3474  0.0000  1
  H  H1  4  0.0658  0.3225  0.5419  1
  S  S2  2  0.0000  0.8473  0.0000  1
]