data_[Li24Cd4Au12]
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 [Cmc2_1]
_cell_length_a [9.5860]
_cell_length_b [14.9022]
_cell_length_c [5.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6CdAu3]
_chemical_formula_sum '[Li24 Cd4 Au12]'
_cell_volume [729.9254]
_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  0.1493  0.4727  0.9494  1.0
  Li  Li1  8  0.2441  0.3059  0.1049  1.0
  Li  Li2  4  0.0000  0.0568  0.8306  1.0
  Li  Li3  4  0.0000  0.3008  0.7871  1.0
  Cd  Cd4  4  0.0000  0.1756  0.3325  1.0
  Au  Au5  8  0.2437  0.1278  0.0815  1.0
  Au  Au6  4  0.0000  0.3753  0.2927  1.0
]