data_[Ag36Pd21Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0983]
_cell_length_b [12.0983]
_cell_length_c [8.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag12Pd7Au]
_chemical_formula_sum '[Ag36 Pd21 Au3]'
_cell_volume [1062.0386]
_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
[
  Ag  Ag0  18  0.0467  0.2451  0.5763  1.0
  Ag  Ag1  18  0.0474  0.1986  0.2483  1.0
  Pd  Pd2  18  0.0660  0.2476  0.9230  1.0
  Pd  Pd3  3  0.0000  0.0000  0.5000  1.0
  Au  Au4  3  0.0000  0.0000  0.0000  1.0
]