data_[Tl8Bi8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0677]
_cell_length_b [18.0495]
_cell_length_c [5.6102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [TlBiO2]
_chemical_formula_sum '[Tl8 Bi8 O16]'
_cell_volume [715.6851]
_cell_formula_units_Z [8]
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  8  0.0000  0.2914  0.2500  1
  Bi  Bi1  8  0.1651  0.9196  0.5000  1
  O  O2  8  0.1277  0.0664  0.5000  1
  O  O3  8  0.1477  0.8034  0.5000  1
]