data_Cd3RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3RuRh
_chemical_formula_sum   'Cd3 Ru1 Rh1'
_cell_volume   127.33
_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
  Cd  Cd2  1  0.52  0.0  0.52  1.0
  Cd  Cd3  1  0.52  0.52  0.0  1.0
  Cd  Cd4  1  0.0  0.52  0.52  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.52  0.52  0.52  1.0

data_Cd3RuRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd3RuRh
_chemical_formula_sum   'Cd9 Ru3 Rh3'
_cell_volume   381.98
_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
  Cd  Cd0  9  0.17  0.83  0.34  1.0
  Ru  Ru1  3  0.0  0.0  0.0  1.0
  Rh  Rh2  3  0.0  0.0  0.52  1.0

Cd Cd Cd Ru Rh
Cd Cd Cd Ru Rh 0 4 o - o 0 4 o o o 0 3 + o + 0 3 + o o 0 3 o o + 0 3 o o o 1 4 o o - 1 4 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 4 - o o 2 4 o o o 2 3 o + + 2 3 o + o 2 3 o o + 2 3 o o o 3 4 - - - 
RuRhCd3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ru(1) is bonded to twelve equivalent Cd(1) atoms to form distorted RuCd12 cuboctahedra that share corners with twelve equivalent Ru(1)Cd12 cuboctahedra, faces with six equivalent Ru(1)Cd12 cuboctahedra, and faces with eight equivalent Rh(1)Cd6 octahedra. There are a spread of Ru(1)-Cd(1) bond distances ranging from 3.45-3.67 Å. Rh(1) is bonded to six equivalent Cd(1) atoms to form RhCd6 octahedra that share corners with six equivalent Rh(1)Cd6 octahedra and faces with eight equivalent Ru(1)Cd12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.44 Å) and three longer (2.59 Å) Rh(1)-Cd(1) bond lengths. Cd(1) is bonded in a distorted linear geometry to four equivalent Ru(1) and two equivalent Rh(1) atoms.