data_[Li8Cd12Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4654]
_cell_length_b [10.0237]
_cell_length_c [13.7347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(CdAu)3]
_chemical_formula_sum '[Li8 Cd12 Au12]'
_cell_volume [614.7558]
_cell_formula_units_Z [4]
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  8  0.0000  0.2403  0.1360  1.0
  Cd  Cd1  8  0.0000  0.3798  0.5584  1.0
  Cd  Cd2  4  0.0000  0.4786  0.2500  1.0
  Au  Au3  8  0.0000  0.0883  0.5788  1.0
  Au  Au4  4  0.0000  0.2367  0.7500  1.0
]