data_[Ac6Be3Al3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6355]
_cell_length_b [6.6355]
_cell_length_c [17.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2BeAlAu6]
_chemical_formula_sum '[Ac6 Be3 Al3 Au18]'
_cell_volume [672.9395]
_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  6  0.0000  0.0000  0.2212  1
  Be  Be1  3  -0.0000  -0.0000  0.0000  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Au  Au3  18  0.0291  0.5146  0.2738  1
]