data_[Ag36Pd3Au21]
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 [11.6398]
_cell_length_b [11.6398]
_cell_length_c [9.4738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag12PdAu7]
_chemical_formula_sum '[Ag36 Pd3 Au21]'
_cell_volume [1111.6030]
_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  0.0118  0.2551  0.5161  1.0
  Ag  Ag1  18  0.0601  0.1691  0.2472  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0603  0.5009  0.6248  1.0
  Au  Au4  3  0.0000  0.0000  0.5000  1.0
]