data_[Na36Zn3Cd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2911]
_cell_length_b [14.2911]
_cell_length_c [9.5283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12ZnCd7]
_chemical_formula_sum '[Na36 Zn3 Cd21]'
_cell_volume [1685.2948]
_cell_formula_units_Z [3]
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  18  0.0415  0.7925  0.9266  1
  Na  Na1  18  0.0627  0.2582  0.4530  1
  Zn  Zn2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  18  0.0067  0.8728  0.2391  1
  Cd  Cd4  3  0.0000  0.0000  0.5000  1
]