data_HfRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   144.96
_cell_angle_beta   127.79
_cell_angle_gamma   64.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuW2
_chemical_formula_sum   'Hf1 Ru1 W2'
_cell_volume   66.74
_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  0.33  0.02  1.0
  Ru  Ru1  1  0.0  0.0  0.78  1.0
  W  W2  1  0.6  0.0  0.02  1.0
  W  W3  1  0.0  0.0  0.15  1.0

data_HfRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.66
_cell_length_c   5.3
_cell_angle_alpha   116.11
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuW2
_chemical_formula_sum   'Hf1 Ru1 W2'
_cell_volume   66.74
_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  0.98  0.31  0.31  1.0
  Ru  Ru1  1  0.22  0.22  0.22  1.0
  W  W2  1  0.58  0.98  0.58  1.0
  W  W3  1  0.85  0.85  0.85  1.0

Hf Ru W W
HfW2Ru crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one W(1), two equivalent W(2), and one Ru(1) atom. The Hf(1)-W(1) bond length is 3.00 Å. There is one shorter (2.34 Å) and one longer (3.02 Å) Hf(1)-W(2) bond length. The Hf(1)-Ru(1) bond length is 1.02 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 3-coordinate geometry to one Hf(1), one W(2), and one Ru(1) atom. The W(1)-W(2) bond length is 1.81 Å. The W(1)-Ru(1) bond length is 2.57 Å. In the second W site, W(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), one W(1), and one Ru(1) atom. The W(2)-Ru(1) bond length is 1.99 Å. Ru(1) is bonded in a distorted single-bond geometry to one Hf(1), one W(1), and one W(2) atom.