data_[Tl6Bi8O16]
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 [C2/m]
_cell_length_a [10.2124]
_cell_length_b [10.2068]
_cell_length_c [7.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.3864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(BiO2)4]
_chemical_formula_sum '[Tl6 Bi8 O16]'
_cell_volume [547.9506]
_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
[
  Tl  Tl0  4  0.2500  0.2500  0.5000  1
  Tl  Tl1  2  0.0000  0.5000  0.5000  1
  Bi  Bi2  4  0.2500  0.2500  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  2  0.0000  0.0000  0.5000  1
  O  O5  4  0.0000  0.2352  0.5000  1
  O  O6  4  0.0000  0.2374  0.0000  1
  O  O7  4  0.2112  0.0000  0.4567  1
  O  O8  4  0.2219  0.0000  0.9644  1
]