data_[Ac6In3Pd36Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  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 [8.3243]
_cell_length_b [8.3243]
_cell_length_c [20.3437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2In(Pd4Au)3]
_chemical_formula_sum '[Ac6 In3 Pd36 Au9]'
_cell_volume [1220.8417]
_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  0.3779  1
  In  In1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0154  0.5077  0.1196  1
  Pd  Pd3  18  0.0170  0.5085  0.3699  1
  Au  Au4  9  0.0000  0.5000  0.5000  1
]