data_[Na6Ti9Tl3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1275]
_cell_length_b [6.1275]
_cell_length_c [16.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na2Ti3TlO8]
_chemical_formula_sum '[Na6 Ti9 Tl3 O24]'
_cell_volume [551.2317]
_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  0.1253  1.0
  Na  Na1  3  0.0000  0.0000  0.5000  1.0
  Ti  Ti2  9  0.0081  0.5041  0.0012  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8747  1.0
  O  O4  9  0.0405  0.5203  0.2717  1.0
  O  O5  9  0.1851  0.3702  0.0591  1.0
  O  O6  3  0.0000  0.0000  0.2683  1.0
  O  O7  3  0.0000  0.0000  0.7285  1.0
]