data_[Na12Tl4Cd8]
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 [C2/c]
_cell_length_a [8.4608]
_cell_length_b [10.1302]
_cell_length_c [8.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3TlCd2]
_chemical_formula_sum '[Na12 Tl4 Cd8]'
_cell_volume [703.4881]
_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  0.2082  0.4430  0.4645  1.0
  Na  Na1  4  0.0000  0.2960  0.7500  1.0
  Tl  Tl2  4  0.0000  0.0077  0.2500  1.0
  Cd  Cd3  8  0.1382  0.2692  0.1364  1.0
]