data_[Ca12Tl3Cd9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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-3m]
_cell_length_a [6.9265]
_cell_length_b [6.9265]
_cell_length_c [16.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4TlCd3O8]
_chemical_formula_sum '[Ca12 Tl3 Cd9 O24]'
_cell_volume [688.1553]
_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
[
  Ca  Ca0  9  0.0000  0.5000  0.5000  1.0
  Ca  Ca1  3  -0.0000  -0.0000  0.5000  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  9  0.0000  0.5000  0.0000  1.0
  O  O4  18  0.0075  0.5037  0.2464  1.0
  O  O5  6  0.0000  0.0000  0.2482  1.0
]