data_[Na2Tl8Cd1]
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 [P4/mmm]
_cell_length_a [5.0867]
_cell_length_b [5.0867]
_cell_length_c [13.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na2Tl8Cd]
_chemical_formula_sum '[Na2 Tl8 Cd1]'
_cell_volume [336.5553]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.3197  1.0
  Tl  Tl1  4  0.0000  0.5000  0.1435  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.5000  0.5000  0.3216  1.0
  Cd  Cd4  1  0.0000  0.0000  0.0000  1.0
]