data_[Pd36Pt12Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [4.7524]
_cell_length_b [4.7524]
_cell_length_c [53.6934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Pd6Pt2Rh3]
_chemical_formula_sum '[Pd36 Pt12 Rh18]'
_cell_volume [1050.1948]
_cell_formula_units_Z [6]
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
[
  Pd  Pd0  36  0.0001  0.3305  0.5409  1
  Rh  Rh1  18  0.0000  0.3355  0.7500  1
  Pt  Pt2  12  0.0000  0.0000  0.1664  1
]