data_[Cs36Li3Au21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [19.0283]
_cell_length_b [19.0283]
_cell_length_c [11.0593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs12LiAu7]
_chemical_formula_sum '[Cs36 Li3 Au21]'
_cell_volume [3467.8444]
_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
[
  Cs  Cs0  18  0.0022  0.5721  0.3375  1.0
  Cs  Cs1  18  0.0442  0.8833  0.2777  1.0
  Li  Li2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0414  0.8843  0.9396  1.0
  Au  Au4  3  0.0000  0.0000  0.5000  1.0
]