data_[Ag36Pd21Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0249]
_cell_length_b [12.0249]
_cell_length_c [8.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag12Pd7Pt]
_chemical_formula_sum '[Ag36 Pd21 Pt3]'
_cell_volume [1057.1908]
_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  0.0413  0.2469  0.5702  1.0
  Ag  Ag1  18  0.0448  0.1875  0.2486  1.0
  Pd  Pd2  18  0.0699  0.2485  0.9278  1.0
  Pd  Pd3  3  0.0000  0.0000  0.5000  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
]