data_[Na2Tl4Cd6]
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 [Pmma]
_cell_length_a [5.6949]
_cell_length_b [6.1563]
_cell_length_c [9.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NaTl2Cd3]
_chemical_formula_sum '[Na2 Tl4 Cd6]'
_cell_volume [329.3278]
_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  0.2500  0.5000  0.4270  1.0
  Tl  Tl1  2  0.2500  0.0000  0.3629  1.0
  Tl  Tl2  2  0.2500  0.5000  0.0920  1.0
  Cd  Cd3  4  0.2500  0.2542  0.7373  1.0
  Cd  Cd4  2  0.0000  0.0000  0.0000  1.0
]