data_[Ac6Ag6Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7827]
_cell_length_b [9.6518]
_cell_length_c [14.2758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Ag3Au8]
_chemical_formula_sum '[Ac6 Ag6 Au16]'
_cell_volume [658.9974]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.2082  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.1756  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  Au  Au4  8  0.0000  0.2877  0.3686  1
  Au  Au5  8  0.0000  0.3570  0.1589  1
]