data_[Tl12Bi4O12]
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 [P4_2/mnm]
_cell_length_a [10.2107]
_cell_length_b [10.2107]
_cell_length_c [6.1432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Tl3BiO3]
_chemical_formula_sum '[Tl12 Bi4 O12]'
_cell_volume [640.4867]
_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  8  0.1251  0.3712  0.5000  1
  Tl  Tl1  4  0.1346  0.8654  0.5000  1
  Bi  Bi2  4  0.1222  0.1222  0.0000  1
  O  O3  8  0.1150  0.3415  0.0000  1
  O  O4  4  0.1093  0.8907  0.0000  1
]