data_[Ac9Pd21Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6284]
_cell_length_b [5.6284]
_cell_length_c [27.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac3Pd7Au2]
_chemical_formula_sum '[Ac9 Pd21 Au6]'
_cell_volume [751.4098]
_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  0.1383  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0028  0.5014  0.9157  1
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1
  Au  Au4  6  0.0000  0.0000  0.3335  1
]