data_[Li20Cd4Au4]
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 [C2/c]
_cell_length_a [7.0535]
_cell_length_b [6.9276]
_cell_length_c [10.2813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5CdAu]
_chemical_formula_sum '[Li20 Cd4 Au4]'
_cell_volume [495.9403]
_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  0.1613  0.3606  0.5724  1.0
  Li  Li1  8  0.2197  0.3076  0.8746  1.0
  Li  Li2  4  0.0000  0.0285  0.7500  1.0
  Cd  Cd3  4  0.0000  0.3794  0.2500  1.0
  Au  Au4  4  0.0000  0.0000  0.0000  1.0
]