data_[Na4Tl16Cd6]
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/m]
_cell_length_a [14.2228]
_cell_length_b [8.7505]
_cell_length_c [6.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl8Cd3]
_chemical_formula_sum '[Na4 Tl16 Cd6]'
_cell_volume [783.7748]
_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  0.2007  0.0000  0.2755  1.0
  Tl  Tl1  8  0.1162  0.3116  0.4256  1.0
  Tl  Tl2  4  0.0926  0.5000  0.8817  1.0
  Tl  Tl3  4  0.1963  0.0000  0.7903  1.0
  Cd  Cd4  4  0.0000  0.1705  0.0000  1.0
  Cd  Cd5  2  0.0000  0.0000  0.5000  1.0
]