data_[Tl8Bi4O16]
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 [Imma]
_cell_length_a [7.0442]
_cell_length_b [7.0820]
_cell_length_c [10.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2BiO4]
_chemical_formula_sum '[Tl8 Bi4 O16]'
_cell_volume [501.0785]
_cell_formula_units_Z [4]
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  0.0000  0.2500  0.8766  1.0
  Tl  Tl1  4  0.2500  0.2500  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0000  0.0299  0.2623  1.0
  O  O4  8  0.2293  0.2500  0.4829  1.0
]