data_[Li51Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5072]
_cell_length_b [8.5072]
_cell_length_c [17.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li17Cd2]
_chemical_formula_sum '[Li51 Cd6]'
_cell_volume [1074.1866]
_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
[
  Li  Li0  18  0.0000  0.3024  0.0000  1
  Li  Li1  18  0.0883  0.5441  0.1078  1
  Li  Li2  9  0.0000  0.5000  0.5000  1
  Li  Li3  6  0.0000  0.0000  0.0985  1
  Cd  Cd4  6  0.0000  0.0000  0.2866  1
]