data_[Na4Tl2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3075]
_cell_length_b [4.7778]
_cell_length_c [10.3914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na2TlO3]
_chemical_formula_sum '[Na4 Tl2 O6]'
_cell_volume [164.2123]
_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
[
  Na  Na0  4  0.0000  0.5000  0.3281  1
  Tl  Tl1  2  0.0000  0.5000  0.0000  1
  O  O2  4  0.0000  0.0000  0.3526  1
  O  O3  2  0.0000  0.0000  0.0000  1
]