data_Hf2VRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VRu
_chemical_formula_sum   'Hf2 V1 Ru1'
_cell_volume   70.31
_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  0.56  0.56  0.09  1.0
  Hf  Hf1  1  0.0  0.0  0.04  1.0
  V  V3  1  0.0  0.0  0.2  1.0
  Ru  Ru2  1  0.56  0.56  0.83  1.0

data_Hf2VRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2VRu
_chemical_formula_sum   'Hf4 V2 Ru2'
_cell_volume   140.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.04  1.0
  Hf  Hf1  2  0.06  0.5  0.09  1.0
  V  V2  2  0.0  0.0  0.2  1.0
  Ru  Ru3  2  0.06  0.5  0.83  1.0

Hf Hf V Ru
Hf Hf V Ru 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o - 1 2 o o o 
HfVHfRu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfRu clusters and two HfV clusters. In each HfRu cluster, Hf(1) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Hf(1)-Ru(1) bond length is 1.93 Å. Ru(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In each HfV cluster, Hf(2) is bonded in a single-bond geometry to one V(1) atom. The Hf(2)-V(1) bond length is 1.18 Å. V(1) is bonded in a single-bond geometry to one Hf(2) atom.