data_[Li3Tl6Te3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6451]
_cell_length_b [5.6451]
_cell_length_c [16.2073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiTl2TeO6]
_chemical_formula_sum '[Li3 Tl6 Te3 O18]'
_cell_volume [447.2926]
_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  0.2425  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4645  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9829  1.0
  Te  Te3  3  0.0000  0.0000  0.6684  1.0
  O  O4  9  0.0251  0.3955  0.4007  1.0
  O  O5  9  0.0603  0.6818  0.2598  1.0
]