data_[Tl36Cd3O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9693]
_cell_length_b [13.9693]
_cell_length_c [8.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12CdO7]
_chemical_formula_sum '[Tl36 Cd3 O21]'
_cell_volume [1468.7380]
_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  18  0.0472  0.2768  0.9915  1
  Tl  Tl1  18  0.0715  0.9005  0.3305  1
  Cd  Cd2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0675  0.9067  0.8427  1
  O  O4  3  0.0000  0.0000  0.5000  1
]