data_[Li3Ac6Ge9Au36]
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
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2676]
_cell_length_b [9.2676]
_cell_length_c [17.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiAc2(GeAu4)3]
_chemical_formula_sum '[Li3 Ac6 Ge9 Au36]'
_cell_volume [1329.9327]
_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
  Ac  Ac1  6  0.0000  0.0000  0.3874  1
  Ge  Ge2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0044  0.5022  0.6427  1
  Au  Au4  18  0.0152  0.5076  0.8229  1
]