data_[Ac36Hg18Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.3686]
_cell_length_b [14.3686]
_cell_length_c [13.3738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12Hg6Au]
_chemical_formula_sum '[Ac36 Hg18 Au3]'
_cell_volume [2391.1818]
_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
[
  Ac  Ac0  18  0.0298  0.2061  0.3922  1
  Ac  Ac1  18  0.0432  0.2010  0.8794  1
  Hg  Hg2  18  0.0467  0.2719  0.6415  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]