data_HfMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   140.77
_cell_angle_beta   127.89
_cell_angle_gamma   67.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2Au
_chemical_formula_sum   'Hf1 Mo2 Au1'
_cell_volume   70.39
_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  Hf1  1  0.0  0.0  0.64  1.0
  Mo  Mo2  1  0.76  0.0  0.12  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.76  0.0  0.32  1.0

data_HfMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.6
_cell_length_c   5.23
_cell_angle_alpha   116.06
_cell_angle_beta   109.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2Au
_chemical_formula_sum   'Hf1 Mo2 Au1'
_cell_volume   70.39
_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  0.64  0.64  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.12  0.37  1.0
  Au  Au3  1  0.0  0.32  0.56  1.0

Hf Mo Mo Au
HfMo2Au crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfMo2Au cluster. Hf(1) is bonded in a 2-coordinate geometry to one Mo(2) and one Au(1) atom. The Hf(1)-Mo(2) bond length is 1.91 Å. The Hf(1)-Au(1) bond length is 1.35 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Au(1) atom. The Mo(1)-Au(1) bond length is 1.01 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Au(1) is bonded in a distorted bent 120 degrees geometry to one Hf(1) and one Mo(1) atom.