data_[Tl1H2Se2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8265]
_cell_length_b [5.4330]
_cell_length_c [7.3062]
_cell_angle_alpha [92.8175]
_cell_angle_beta [90.6254]
_cell_angle_gamma [112.5123]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2(SeO3)2]
_chemical_formula_sum '[Tl1 H2 Se2 O6]'
_cell_volume [176.6797]
_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  1  0.5000  0.0000  0.5000  1
  H  H1  2  0.3589  0.4914  0.7241  1
  Se  Se2  2  0.1330  0.3085  0.1726  1
  O  O3  2  0.1271  0.6478  0.6892  1
  O  O4  2  0.1826  0.0346  0.2406  1
  O  O5  2  0.4771  0.5812  0.2662  1
]