data_Hf2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MoRu
_chemical_formula_sum   'Hf2 Mo1 Ru1'
_cell_volume   71.75
_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  0.73  0.0  0.26  1.0
  Hf  Hf1  1  0.73  0.0  0.21  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.23  1.0

data_Hf2MoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MoRu
_chemical_formula_sum   'Hf2 Mo1 Ru1'
_cell_volume   71.75
_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  0.73  0.0  0.21  1.0
  Hf  Hf1  1  0.73  0.0  0.26  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.23  1.0

Hf Hf Mo Ru
Hf2MoRu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2MoRu cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Hf(2) and one Ru(1) atom. The Hf(1)-Hf(2) bond length is 0.48 Å. The Hf(1)-Ru(1) bond length is 0.85 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Hf(1), one Mo(1), and one Ru(1) atom. The Hf(2)-Mo(1) bond length is 1.92 Å. The Hf(2)-Ru(1) bond length is 0.85 Å. Mo(1) is bonded in a distorted single-bond geometry to one Hf(2) atom. Ru(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Hf(2) atom.