data_HfAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.6
_cell_angle_alpha   105.14
_cell_angle_beta   105.14
_cell_angle_gamma   38.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAsW2
_chemical_formula_sum   'Hf1 As1 W2'
_cell_volume   68.83
_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  0.12  0.0  0.21  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.49  0.0  0.45  1.0
  W  W3  1  0.74  0.0  0.97  1.0

data_HfAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.6
_cell_length_c   5.03
_cell_angle_alpha   105.14
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAsW2
_chemical_formula_sum   'Hf1 As1 W2'
_cell_volume   68.83
_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  0.21  0.12  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.45  0.49  1.0
  W  W3  1  0.0  0.97  0.74  1.0

Hf As W W
Hf As W W 0 1 o o o 0 2 o o o 1 3 - o - 
HfW2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfW2As cluster. Hf(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one As(1) atom. The Hf(1)-W(1) bond length is 1.93 Å. The Hf(1)-As(1) bond length is 0.98 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second W site, W(2) is bonded in a single-bond geometry to one As(1) atom. The W(2)-As(1) bond length is 1.28 Å. As(1) is bonded in a distorted bent 120 degrees geometry to one Hf(1) and one W(2) atom.