data_IrPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdRu2
_chemical_formula_sum   'Ir1 Pd1 Ru2'
_cell_volume   59.48
_cell_formula_units_Z   1
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
  Ir  Ir0  1  0.65  0.65  0.65  1.0
  Pd  Pd1  1  0.1  0.1  0.1  1.0
  Ru  Ru2  1  0.55  0.55  0.55  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_IrPdRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   10.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   IrPdRu2
_chemical_formula_sum   'Ir3 Pd3 Ru6'
_cell_volume   178.45
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Ir  Ir0  3  0.0  0.0  0.35  1.0
  Ru  Ru1  3  0.0  0.0  0.45  1.0
  Pd  Pd2  3  0.0  0.0  0.9  1.0
  Ru  Ru3  3  0.0  0.0  1.0  1.0

Ir Pd Ru Ru
Ir Pd Ru Ru 0 2 o o o 1 3 o o o 
RuIrPdRu is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three PdRu clusters and three RuIr clusters. In each PdRu cluster, Ru(2) is bonded in a single-bond geometry to one Pd(1) atom. The Ru(2)-Pd(1) bond length is 1.05 Å. Pd(1) is bonded in a single-bond geometry to one Ru(2) atom. In each RuIr cluster, Ru(1) is bonded in a single-bond geometry to one Ir(1) atom. The Ru(1)-Ir(1) bond length is 1.05 Å. Ir(1) is bonded in a single-bond geometry to one Ru(1) atom.