data_[Na24Tl3Cd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9797]
_cell_length_b [8.9797]
_cell_length_c [19.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na8TlCd6]
_chemical_formula_sum '[Na24 Tl3 Cd18]'
_cell_volume [1372.0911]
_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
[
  Na  Na0  18  0.0056  0.3241  0.1200  1
  Na  Na1  6  0.0000  0.0000  0.3362  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  18  0.0033  0.3422  0.9544  1
]