data_[Li18Ag3Au36]
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 [12.0161]
_cell_length_b [12.0161]
_cell_length_c [8.2555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6AgAu12]
_chemical_formula_sum '[Li18 Ag3 Au36]'
_cell_volume [1032.2864]
_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  0.0476  0.2116  0.7509  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0486  0.2440  0.0732  1.0
  Au  Au3  18  0.0621  0.2331  0.4245  1.0
]