data_[Na14Tl4Cd4]
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 [Imm2]
_cell_length_a [5.0950]
_cell_length_b [15.2853]
_cell_length_c [8.6774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na7(TlCd)2]
_chemical_formula_sum '[Na14 Tl4 Cd4]'
_cell_volume [675.7803]
_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  0.0000  0.1443  0.3359  1.0
  Na  Na1  4  0.0000  0.1572  0.8995  1.0
  Na  Na2  4  0.0000  0.3503  0.1189  1.0
  Na  Na3  2  0.0000  0.5000  0.4452  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6284  1.0
  Tl  Tl5  2  0.0000  0.5000  0.8301  1.0
  Cd  Cd6  4  0.0000  0.3042  0.6208  1.0
]