data_[Tl3Bi3Te6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6203]
_cell_length_b [5.6203]
_cell_length_c [25.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TlBi(TeO4)2]
_chemical_formula_sum '[Tl3 Bi3 Te6 O24]'
_cell_volume [708.5332]
_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
[
  Tl  Tl0  3  -0.0000  0.0000  0.5000  1
  Bi  Bi1  3  0.0000  0.0000  0.0000  1
  Te  Te2  6  0.0000  0.0000  0.2545  1
  O  O3  18  0.0120  0.6952  0.7210  1
  O  O4  6  0.0000  0.0000  0.1841  1
]