data_[Tl2H4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7671]
_cell_length_b [5.5003]
_cell_length_c [10.9896]
_cell_angle_alpha [96.0071]
_cell_angle_beta [95.7195]
_cell_angle_gamma [106.1159]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl(HSe)2]
_chemical_formula_sum '[Tl2 H4 Se4]'
_cell_volume [272.7992]
_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  0.0338  0.2516  0.1537  1.0
  H  H1  2  0.0707  0.8371  0.3784  1.0
  H  H2  2  0.3288  0.2972  0.7478  1.0
  Se  Se3  2  0.2183  0.3551  0.6234  1.0
  Se  Se4  2  0.4716  0.7081  0.0338  1.0
]