data_HfSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiW2
_chemical_formula_sum   'Hf1 Si1 W2'
_cell_volume   66.72
_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  0.66  0.0  0.2  1.0
  Si  Si1  1  0.0  0.0  0.05  1.0
  W  W2  1  0.66  0.0  0.1  1.0
  W  W3  1  0.0  0.0  0.53  1.0

data_HfSiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiW2
_chemical_formula_sum   'Hf1 Si1 W2'
_cell_volume   66.72
_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  0.66  0.0  0.2  1.0
  Si  Si1  1  0.0  0.0  0.05  1.0
  W  W2  1  0.0  0.0  0.53  1.0
  W  W3  1  0.66  0.0  0.1  1.0

Hf Si W W
Hf Si W W 0 2 o o o 0 3 + o o 0 3 o o o 1 2 - o o 3 3 + + o 3 3 o + o 3 3 + o o 
HfW2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfW2Si cluster. Hf(1) is bonded in a single-bond geometry to one W(1) and one W(2) atom. The Hf(1)-W(1) bond length is 0.83 Å. The Hf(1)-W(2) bond length is 3.01 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Si(1) atom. The W(1)-Si(1) bond length is 1.08 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Si(1) is bonded in a distorted single-bond geometry to one W(1) atom.