data_[Na36Li3Cd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [18.5231]
_cell_length_b [18.5231]
_cell_length_c [6.0774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12LiCd7]
_chemical_formula_sum '[Na36 Li3 Cd21]'
_cell_volume [1805.8145]
_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  0.0243  0.5990  0.5582  1
  Na  Na1  18  0.0957  0.2172  0.3791  1
  Li  Li2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  18  0.0507  0.1646  0.8788  1
  Cd  Cd4  3  0.0000  0.0000  0.5000  1
]