data_[Na2Tl1Se2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  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 [5.7705]
_cell_length_b [5.9053]
_cell_length_c [6.4595]
_cell_angle_alpha [72.2904]
_cell_angle_beta [78.6935]
_cell_angle_gamma [66.0814]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2Tl(SeO3)2]
_chemical_formula_sum '[Na2 Tl1 Se2 O6]'
_cell_volume [191.0071]
_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
[
  Na  Na0  2  0.1907  0.2130  0.0002  1.0
  Tl  Tl1  1  0.5000  0.0000  0.5000  1.0
  Se  Se2  2  0.1865  0.6816  0.3649  1.0
  O  O3  2  0.0837  0.0661  0.7391  1.0
  O  O4  2  0.2229  0.4568  0.2299  1.0
  O  O5  2  0.4169  0.8117  0.2344  1.0
]