data_HfVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.71
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVAu2
_chemical_formula_sum   'Hf1 V1 Au2'
_cell_volume   71.39
_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  Hf2  1  0.0  0.36  0.76  1.0
  V  V3  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.52  0.36  0.3  1.0
  Au  Au1  1  0.52  0.0  0.49  1.0

data_HfVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.71
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVAu2
_chemical_formula_sum   'Hf1 V1 Au2'
_cell_volume   71.39
_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  0.36  0.76  1.0
  V  V1  1  0.0  0.0  0.91  1.0
  Au  Au2  1  0.52  0.0  0.49  1.0
  Au  Au3  1  0.52  0.36  0.3  1.0

Hf V Au Au
HfVAu2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one V(1), two equivalent Au(2), and four equivalent Au(1) atoms. The Hf(1)-V(1) bond length is 1.83 Å. There is one shorter (2.60 Å) and one longer (2.68 Å) Hf(1)-Au(2) bond length. There are a spread of Hf(1)-Au(1) bond distances ranging from 2.70-3.13 Å. V(1) is bonded in a 1-coordinate geometry to one Hf(1), two equivalent Au(1), and two equivalent Au(2) atoms. There is one shorter (2.97 Å) and one longer (3.04 Å) V(1)-Au(1) bond length. There is one shorter (2.53 Å) and one longer (2.61 Å) V(1)-Au(2) bond length. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), two equivalent V(1), two equivalent Au(1), and two equivalent Au(2) atoms. Both Au(1)-Au(1) bond lengths are 3.05 Å. There is one shorter (1.92 Å) and one longer (3.17 Å) Au(1)-Au(2) bond length. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to two equivalent Hf(1), two equivalent V(1), and two equivalent Au(1) atoms.