data_HfNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   18.09
_cell_angle_beta   18.09
_cell_angle_gamma   18.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Ru
_chemical_formula_sum   'Hf1 Ni2 Ru1'
_cell_volume   57.05
_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  0.96  1.0
  Ni  Ni1  1  0.0  0.0  0.32  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfNi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   100.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNi2Ru
_chemical_formula_sum   'Hf2 Ni4 Ru2'
_cell_volume   114.1
_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
  Ni  Ni1  2  0.0  0.0  0.68  1.0
  Ni  Ni2  2  0.0  0.0  0.41  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Hf Ni Ni Ru
HfRuNi2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Ru(1) and one Ni(2) atom. The Hf(1)-Ru(1) bond length is 0.39 Å. The Hf(1)-Ni(2) bond length is 3.20 Å. Ru(1) is bonded in a single-bond geometry to one Hf(1) and one Ni(1) atom. The Ru(1)-Ni(1) bond length is 2.80 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ru(1), one Ni(2), and six equivalent Ni(1) atoms to form distorted NiNi7Ru hexagonal bipyramids that share corners with six equivalent Ni(1)Ni7Ru hexagonal bipyramids, edges with six equivalent Ni(2)HfNi7 hexagonal bipyramids, and edges with twelve equivalent Ni(1)Ni7Ru hexagonal bipyramids. The Ni(1)-Ni(2) bond length is 2.38 Å. All Ni(1)-Ni(1) bond lengths are 2.76 Å. In the second Ni site, Ni(2) is bonded to one Hf(1), one Ni(1), and six equivalent Ni(2) atoms to form distorted NiHfNi7 hexagonal bipyramids that share corners with six equivalent Ni(2)HfNi7 hexagonal bipyramids, edges with six equivalent Ni(1)Ni7Ru hexagonal bipyramids, and edges with twelve equivalent Ni(2)HfNi7 hexagonal bipyramids. All Ni(2)-Ni(2) bond lengths are 2.76 Å.