data_MoPd4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd4Rh
_chemical_formula_sum   'Mo1 Pd4 Rh1'
_cell_volume   94.6
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.71  0.52  0.71  1.0
  Pd  Pd2  1  0.52  0.71  0.71  1.0
  Pd  Pd3  1  0.52  0.52  0.52  1.0
  Pd  Pd4  1  0.71  0.71  0.52  1.0
  Rh  Rh5  1  0.81  0.81  0.81  1.0

data_MoPd4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MoPd4Rh
_chemical_formula_sum   'Mo3 Pd12 Rh3'
_cell_volume   283.81
_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
  Mo  Mo0  3  0.0  0.0  0.0  1.0
  Pd  Pd1  9  0.13  0.06  0.35  1.0
  Pd  Pd2  3  0.0  0.0  0.48  1.0
  Rh  Rh3  3  0.0  0.0  0.19  1.0

Mo Pd Pd Pd Pd Rh
Mo Pd Pd Pd Pd Rh 0 5 - - - 0 4 - - o 0 1 - o - 0 2 o - - 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 4 5 o o o 
MoRhPd4 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a trigonal pyramidal geometry to one Rh(1) and three equivalent Pd(1) atoms. The Mo(1)-Rh(1) bond length is 2.40 Å. All Mo(1)-Pd(1) bond lengths are 2.40 Å. Rh(1) is bonded in a 7-coordinate geometry to one Mo(1), three equivalent Pd(1), and three equivalent Pd(2) atoms. All Rh(1)-Pd(1) bond lengths are 2.08 Å. All Rh(1)-Pd(2) bond lengths are 3.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Mo(1), one Rh(1), one Pd(2), and two equivalent Pd(1) atoms. The Pd(1)-Pd(2) bond length is 1.68 Å. Both Pd(1)-Pd(1) bond lengths are 0.97 Å. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Pd(1) atoms.