data_HfTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.66
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiW2
_chemical_formula_sum   'Hf1 Ti1 W2'
_cell_volume   70.63
_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  0.39  0.33  0.76  1.0
  Ti  Ti1  1  0.0  0.0  0.11  1.0
  W  W2  1  0.39  0.33  0.03  1.0
  W  W3  1  0.0  0.0  0.3  1.0

data_HfTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.66
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiW2
_chemical_formula_sum   'Hf1 Ti1 W2'
_cell_volume   70.63
_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  0.39  0.33  0.76  1.0
  Ti  Ti1  1  0.0  0.0  0.11  1.0
  W  W2  1  0.0  0.0  0.3  1.0
  W  W3  1  0.39  0.33  0.03  1.0

Hf Ti W W
Hf Ti W W 0 2 o o + 1 3 o o o 
HfTiW2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTiW2 cluster. Hf(1) is bonded in a single-bond geometry to one W(1) atom. The Hf(1)-W(1) bond length is 1.48 Å. Ti(1) is bonded in a distorted single-bond geometry to one W(1) and one W(2) atom. The Ti(1)-W(1) bond length is 1.92 Å. The Ti(1)-W(2) bond length is 1.05 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Ti(1) atom. In the second W site, W(2) is bonded in a single-bond geometry to one Ti(1) atom.