data_PdRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRu3
_chemical_formula_sum   'Pd2 Ru6'
_cell_volume   117.1
_cell_formula_units_Z   2
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  1  0.45  0.45  0.45  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.45  0.67  0.0  1.0
  Ru  Ru3  1  0.45  0.22  0.0  1.0
  Ru  Ru4  1  0.67  0.0  0.45  1.0
  Ru  Ru5  1  0.0  0.45  0.67  1.0
  Ru  Ru6  1  0.0  0.45  0.22  1.0
  Ru  Ru7  1  0.22  0.0  0.45  1.0

data_PdRu3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   PdRu3
_chemical_formula_sum   'Pd6 Ru18'
_cell_volume   351.3
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ru  Ru0  9  0.07  0.37  0.37  1.0
  Ru  Ru1  9  0.11  0.67  0.89  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.45  1.0

Pd Pd Ru Ru Ru Ru Ru Ru
Pd Pd Ru Ru Ru Ru Ru Ru 0 7 o o o 0 7 o + o 0 6 o o o 0 6 + o o 0 5 o o o 0 5 + o o 0 3 o o o 0 3 o o + 0 4 o o o 0 4 o + o 0 2 o o o 0 2 o o + 1 4 - o o 1 3 - o o 1 3 o o o 1 2 o - o 1 6 o - o 1 6 o o o 1 7 o o - 1 7 o o o 1 5 o o - 2 5 o o - 2 6 o o o 2 7 o + o 2 3 o o o 2 3 o + o 2 4 o + o 3 7 o o o 3 5 o o - 3 6 o o o 3 4 o o o 4 7 o o o 4 7 + o o 4 6 + o o 4 5 + o o 5 7 o o o 5 6 o o o 5 6 o o + 6 7 o o o 
Ru3Pd is beta Plutonium-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to six equivalent Ru(2), two equivalent Pd(1), and two equivalent Pd(2) atoms. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.18-3.34 Å. There is one shorter (2.44 Å) and one longer (2.92 Å) Ru(1)-Pd(1) bond length. There is one shorter (2.72 Å) and one longer (3.16 Å) Ru(1)-Pd(2) bond length. In the second Ru site, Ru(2) is bonded in a 14-coordinate geometry to four equivalent Ru(2), six equivalent Ru(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. There are two shorter (2.67 Å) and two longer (3.12 Å) Ru(2)-Ru(2) bond lengths. There is one shorter (2.44 Å) and one longer (2.92 Å) Ru(2)-Pd(1) bond length. There is one shorter (2.44 Å) and one longer (2.92 Å) Ru(2)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to six equivalent Ru(1) and six equivalent Ru(2) atoms to form distorted edge-sharing PdRu12 cuboctahedra. In the second Pd site, Pd(2) is bonded in a 12-coordinate geometry to six equivalent Ru(1) and six equivalent Ru(2) atoms.