data_HfRuRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuRh4
_chemical_formula_sum   'Hf1 Ru1 Rh4'
_cell_volume   94.82
_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
  Hf  Hf0  1  0.81  0.81  0.81  1.0
  Ru  Ru5  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.71  0.71  0.53  1.0
  Rh  Rh2  1  0.71  0.53  0.71  1.0
  Rh  Rh3  1  0.53  0.71  0.71  1.0
  Rh  Rh4  1  0.53  0.53  0.53  1.0

data_HfRuRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfRuRh4
_chemical_formula_sum   'Hf3 Ru3 Rh12'
_cell_volume   284.45
_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
  Hf  Hf0  3  0.0  0.0  0.19  1.0
  Ru  Ru1  3  0.0  0.0  -0.0  1.0
  Rh  Rh2  9  0.12  0.06  0.35  1.0
  Rh  Rh3  3  0.0  0.0  0.47  1.0

Hf Ru Rh Rh Rh Rh
HfRuRh4 crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 7-coordinate geometry to one Ru(1), three equivalent Rh(1), and three equivalent Rh(2) atoms. The Hf(1)-Ru(1) bond length is 2.39 Å. All Hf(1)-Rh(1) bond lengths are 2.07 Å. All Hf(1)-Rh(2) bond lengths are 3.02 Å. Ru(1) is bonded in a distorted trigonal pyramidal geometry to one Hf(1) and three equivalent Rh(1) atoms. All Ru(1)-Rh(1) bond lengths are 2.41 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1) and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.65 Å. In the second Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Hf(1), one Ru(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 0.95 Å.