data_[Na3Tl36Cd18]
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 [13.1280]
_cell_length_b [13.1280]
_cell_length_c [11.4419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na(Tl2Cd)6]
_chemical_formula_sum '[Na3 Tl36 Cd18]'
_cell_volume [1707.7582]
_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  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  18  0.0449  0.5710  0.6255  1.0
  Tl  Tl2  18  0.0838  0.9047  0.2513  1.0
  Cd  Cd3  18  0.0146  0.7796  0.5128  1.0
]