data_[Li3Ac3Zn12Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4558]
_cell_length_b [4.4558]
_cell_length_c [27.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiAc(Zn2Au)2]
_chemical_formula_sum '[Li3 Ac3 Zn12 Au6]'
_cell_volume [466.6298]
_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  0.5000  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  6  0.0000  0.0000  0.1315  1
  Zn  Zn3  6  0.0000  0.0000  0.4058  1
  Au  Au4  6  0.0000  0.0000  0.2335  1
]