data_HfZrRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrRh3
_chemical_formula_sum   'Hf1 Zr1 Rh3'
_cell_volume   104.85
_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  Hf3  1  0.36  0.36  0.36  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.36  0.0  0.36  1.0
  Rh  Rh1  1  0.36  0.36  0.0  1.0
  Rh  Rh2  1  0.0  0.36  0.36  1.0

data_HfZrRh3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfZrRh3
_chemical_formula_sum   'Hf3 Zr3 Rh9'
_cell_volume   314.55
_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  0.36  1.0
  Zr  Zr1  3  0.0  0.0  0.0  1.0
  Rh  Rh2  9  0.09  0.55  0.91  1.0

Hf Zr Rh Rh Rh
Hf Zr Rh Rh Rh 0 4 o o o 0 2 o o o 0 3 o o o 1 4 o o o 1 3 o o o 1 2 o o o 
HfZrRh3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three HfZrRh3 clusters. Hf(1) is bonded in a 3-coordinate geometry to three equivalent Rh(1) atoms. All Hf(1)-Rh(1) bond lengths are 1.69 Å. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Rh(1) atoms. All Zr(1)-Rh(1) bond lengths are 2.39 Å. Rh(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Zr(1) atom.