data_[Ti2Tl4Te6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [C2]
_cell_length_a [12.5053]
_cell_length_b [7.2748]
_cell_length_c [7.2338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiTl2(TeO4)3]
_chemical_formula_sum '[Ti2 Tl4 Te6 O24]'
_cell_volume [539.8416]
_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
[
  Ti  Ti0  2  0.0000  0.5052  0.5000  1.0
  Tl  Tl1  4  0.1358  0.0162  0.8644  1.0
  Te  Te2  4  0.2498  0.2531  0.5005  1.0
  Te  Te3  2  0.0000  0.5033  0.0000  1.0
  O  O4  4  0.0658  0.5021  0.8194  1.0
  O  O5  4  0.1265  0.3096  0.5661  1.0
  O  O6  4  0.1272  0.6947  0.5653  1.0
  O  O7  4  0.1275  0.3048  0.1746  1.0
  O  O8  4  0.1282  0.7005  0.1740  1.0
  O  O9  4  0.1743  0.0028  0.4300  1.0
]