data_[Li3Ag21Au36]
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 [10.0470]
_cell_length_b [10.0470]
_cell_length_c [12.9308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiAg7Au12]
_chemical_formula_sum '[Li3 Ag21 Au36]'
_cell_volume [1130.3952]
_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  3  0.0000  0.0000  0.0000  1
  Ag  Ag1  18  0.0474  0.1857  0.8034  1
  Ag  Ag2  3  -0.0000  0.0000  0.5000  1
  Au  Au3  18  0.0372  0.4620  0.7068  1
  Au  Au4  18  0.0496  0.5896  0.0885  1
]