data_HfVRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRh2
_chemical_formula_sum   'Hf1 V1 Rh2'
_cell_volume   62.26
_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  0.91  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.46  0.2  0.48  1.0
  Rh  Rh2  1  0.46  0.8  0.48  1.0

data_HfVRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   102.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRh2
_chemical_formula_sum   'Hf1 V1 Rh2'
_cell_volume   62.26
_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  -0.0  0.91  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.48  0.46  0.2  1.0
  Rh  Rh3  1  0.48  0.46  0.8  1.0

Hf V Rh Rh
Hf V Rh Rh 0 1 + o o 2 3 o - o 
HfVRh2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one V(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. The Hf(1)-V(1) bond length is 0.41 Å. There is one shorter (2.86 Å) and one longer (2.91 Å) Hf(1)-Rh(1) bond length. There is one shorter (2.56 Å) and one longer (2.61 Å) Hf(1)-Rh(2) bond length. V(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Rh(1) atoms. There is one shorter (2.56 Å) and one longer (2.61 Å) V(1)-Rh(1) bond length. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent V(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. Both Rh(1)-Rh(1) bond lengths are 2.97 Å. There is one shorter (1.83 Å) and one longer (2.80 Å) Rh(1)-Rh(2) bond length. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and two equivalent Rh(1) atoms.