data_HfBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiAu2
_chemical_formula_sum   'Hf1 Bi1 Au2'
_cell_volume   89.21
_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  Hf3  1  0.0  0.0  0.12  1.0
  Bi  Bi2  1  0.71  0.71  0.85  1.0
  Au  Au0  1  0.71  0.71  0.59  1.0
  Au  Au1  1  0.0  0.0  0.56  1.0

data_HfBiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBiAu2
_chemical_formula_sum   'Hf2 Bi2 Au4'
_cell_volume   178.42
_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  0.12  1.0
  Bi  Bi1  2  0.21  0.5  0.85  1.0
  Au  Au2  2  0.0  0.0  0.56  1.0
  Au  Au3  2  0.21  0.5  0.59  1.0

Hf Bi Au Au
Hf Bi Au Au 0 1 - - - 1 2 o o o 2 3 + + o 
HfAu2Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfAu2Bi clusters. Hf(1) is bonded in a 1-coordinate geometry to one Bi(1) atom. The Hf(1)-Bi(1) bond length is 2.46 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted water-like geometry to one Au(2) and one Bi(1) atom. The Au(1)-Au(2) bond length is 1.43 Å. The Au(1)-Bi(1) bond length is 2.00 Å. In the second Au site, Au(2) is bonded in a 1-coordinate geometry to one Au(1) atom. Bi(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and one Au(1) atom.