data_Hf2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MoAu
_chemical_formula_sum   'Hf2 Mo1 Au1'
_cell_volume   76.0
_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  Hf1  1  0.7  0.7  0.05  1.0
  Hf  Hf2  1  0.7  0.7  0.55  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.3  1.0

data_Hf2MoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MoAu
_chemical_formula_sum   'Hf4 Mo2 Au2'
_cell_volume   151.99
_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  0.2  0.5  0.05  1.0
  Hf  Hf1  2  0.2  0.5  0.55  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.3  1.0

Hf Hf Mo Au
Hf2MoAu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2MoAu clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Au(1) atom. The Hf(1)-Mo(1) bond length is 1.49 Å. The Hf(1)-Au(1) bond length is 2.19 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Au(1) atom. The Hf(2)-Au(1) bond length is 2.19 Å. Mo(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Au(1) atom. The Mo(1)-Au(1) bond length is 1.96 Å. Au(1) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(2), and one Mo(1) atom.