data_[Li6Zn18Cd36]
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 [11.0096]
_cell_length_b [11.0096]
_cell_length_c [11.6863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(ZnCd2)3]
_chemical_formula_sum '[Li6 Zn18 Cd36]'
_cell_volume [1226.7441]
_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  3  0.0000  0.0000  0.0000  1.0
  Li  Li1  3  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  18  0.0580  0.5635  0.6928  1.0
  Cd  Cd3  18  0.0506  0.8731  0.7926  1.0
  Cd  Cd4  18  0.0536  0.2781  0.4293  1.0
]