data_[Li3Nb3Tl6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  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 [5.5719]
_cell_length_b [5.5719]
_cell_length_c [15.0613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiNbTl2O6]
_chemical_formula_sum '[Li3 Nb3 Tl6 O18]'
_cell_volume [404.9499]
_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
[
  Li  Li0  3  0.0000  0.0000  0.2092  1.0
  Nb  Nb1  3  0.0000  0.0000  0.6892  1.0
  Tl  Tl2  3  0.0000  0.0000  0.4751  1.0
  Tl  Tl3  3  0.0000  0.0000  0.9586  1.0
  O  O4  9  0.0089  0.3738  0.4125  1.0
  O  O5  9  0.0639  0.6925  0.2559  1.0
]