data_[Na3Ta3Tl6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6881]
_cell_length_b [5.6881]
_cell_length_c [15.0992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaTaTl2O6]
_chemical_formula_sum '[Na3 Ta3 Tl6 O18]'
_cell_volume [423.0839]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8096  1.0
  Ta  Ta1  3  0.0000  0.0000  0.3113  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0378  1.0
  Tl  Tl3  3  0.0000  0.0000  0.5262  1.0
  O  O4  9  0.0411  0.3516  0.9189  1.0
  O  O5  9  0.0640  0.6670  0.0734  1.0
]