data_[Na8Tl20Cd8]
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 [Cmce]
_cell_length_a [16.6272]
_cell_length_b [8.1714]
_cell_length_c [7.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na2Tl5Cd2]
_chemical_formula_sum '[Na8 Tl20 Cd8]'
_cell_volume [1072.9379]
_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
[
  Na  Na0  8  0.2194  0.0000  0.0000  1
  Tl  Tl1  16  0.1273  0.1792  0.3266  1
  Tl  Tl2  4  0.0000  0.0000  0.0000  1
  Cd  Cd3  8  0.0000  0.1258  0.6279  1
]