data_HfReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReNi2
_chemical_formula_sum   'Hf1 Re1 Ni2'
_cell_volume   56.69
_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  0.0  1.0
  Re  Re3  1  0.96  0.96  0.0  1.0
  Ni  Ni1  1  0.0  0.96  0.85  1.0
  Ni  Ni2  1  0.96  0.0  0.85  1.0

data_HfReNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfReNi2
_chemical_formula_sum   'Hf2 Re2 Ni4'
_cell_volume   113.37
_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  0.0  1.0
  Re  Re1  2  0.46  0.5  -0.0  1.0
  Ni  Ni2  4  0.48  0.48  0.85  1.0

Hf Re Ni Ni
HfReNi2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfReNi2 clusters. Hf(1) is bonded in a single-bond geometry to one Re(1) and two equivalent Ni(1) atoms. The Hf(1)-Re(1) bond length is 0.25 Å. Both Hf(1)-Ni(1) bond lengths are 0.57 Å. Re(1) is bonded in a single-bond geometry to one Hf(1) atom. Ni(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Ni(1) atom. The Ni(1)-Ni(1) bond length is 0.25 Å.