data_[Li18Zn6Cd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [10.4905]
_cell_length_b [10.4905]
_cell_length_c [12.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li3ZnCd6]
_chemical_formula_sum '[Li18 Zn6 Cd36]'
_cell_volume [1207.1509]
_cell_formula_units_Z [6]
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
[
  Li  Li0  18  0.0369  0.4504  0.7059  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  3  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  18  0.0409  0.1867  0.8109  1.0
  Cd  Cd4  18  0.0598  0.7978  0.4175  1.0
]