data_[Li21Ag36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2205]
_cell_length_b [10.2205]
_cell_length_c [12.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li7Ag12Au]
_chemical_formula_sum '[Li21 Ag36 Au3]'
_cell_volume [1096.2417]
_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  0.0222  0.1901  0.8113  1
  Li  Li1  3  0.0000  0.0000  0.5000  1
  Ag  Ag2  18  0.0220  0.4472  0.6967  1
  Ag  Ag3  18  0.0741  0.8224  0.4195  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]