data_HfV2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   145.83
_cell_angle_beta   132.11
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Ru
_chemical_formula_sum   'Hf1 V2 Ru1'
_cell_volume   61.85
_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  Hf0  1  0.0  0.0  0.6  1.0
  V  V2  1  0.56  0.0  0.2  1.0
  V  V3  1  0.0  0.16  0.4  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HfV2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.31
_cell_length_c   5.31
_cell_angle_alpha   113.95
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Ru
_chemical_formula_sum   'Hf1 V2 Ru1'
_cell_volume   61.85
_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  Hf0  1  0.0  0.6  0.6  1.0
  V  V1  1  0.0  0.2  0.64  1.0
  V  V2  1  0.84  0.24  0.24  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf V V Ru
Hf V V Ru 0 2 o o o 0 1 - o o 0 3 o o + 1 2 + o o 2 3 o o o 
HfV2Ru crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 3-coordinate geometry to one V(2), two equivalent V(1), and one Ru(1) atom. The Hf(1)-V(2) bond length is 1.80 Å. There is one shorter (1.82 Å) and one longer (2.51 Å) Hf(1)-V(1) bond length. The Hf(1)-Ru(1) bond length is 2.14 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1), one V(2), and one Ru(1) atom. The V(1)-V(2) bond length is 2.10 Å. The V(1)-Ru(1) bond length is 2.40 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to one Hf(1), one V(1), and two equivalent Ru(1) atoms. There is one shorter (1.50 Å) and one longer (2.57 Å) V(2)-Ru(1) bond length. Ru(1) is bonded in a 4-coordinate geometry to one Hf(1), one V(1), and two equivalent V(2) atoms.