data_[Na12Tl6Cd2]
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 [P2_1/m]
_cell_length_a [13.1016]
_cell_length_b [3.3239]
_cell_length_c [13.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Tl3Cd]
_chemical_formula_sum '[Na12 Tl6 Cd2]'
_cell_volume [600.2850]
_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  2  0.1228  0.7500  0.4798  1.0
  Na  Na1  2  0.1804  0.2500  0.9118  1.0
  Na  Na2  2  0.2133  0.2500  0.2820  1.0
  Na  Na3  2  0.2652  0.2500  0.7007  1.0
  Na  Na4  2  0.3519  0.7500  0.1082  1.0
  Na  Na5  2  0.4955  0.2500  0.3136  1.0
  Tl  Tl6  2  0.0760  0.7500  0.0942  1.0
  Tl  Tl7  2  0.3712  0.2500  0.4950  1.0
  Tl  Tl8  2  0.4171  0.7500  0.8990  1.0
  Cd  Cd9  2  0.0372  0.7500  0.7099  1.0
]