data_[Na8Tl8Cd6]
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 [Amm2]
_cell_length_a [11.0381]
_cell_length_b [3.2983]
_cell_length_c [17.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na4Tl4Cd3]
_chemical_formula_sum '[Na8 Tl8 Cd6]'
_cell_volume [645.6358]
_cell_formula_units_Z [2]
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  4  0.2631  0.0000  0.7382  1.0
  Na  Na1  2  0.0000  0.0000  0.9583  1.0
  Na  Na2  2  0.5000  0.0000  0.9099  1.0
  Tl  Tl3  4  0.2582  0.0000  0.0550  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6326  1.0
  Tl  Tl5  2  0.5000  0.0000  0.6239  1.0
  Cd  Cd6  4  0.2372  0.0000  0.3957  1.0
  Cd  Cd7  2  0.0000  0.0000  0.2958  1.0
]