data_HfW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   3.03
_cell_angle_alpha   104.26
_cell_angle_beta   104.26
_cell_angle_gamma   126.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Cl
_chemical_formula_sum   'Hf1 W2 Cl1'
_cell_volume   71.15
_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  0.67  0.0  0.0  1.0
  W  W2  1  0.51  0.38  0.27  1.0
  W  W3  1  0.51  0.62  0.27  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.48
_cell_length_c   5.88
_cell_angle_alpha   111.93
_cell_angle_beta   104.26
_cell_angle_gamma   91.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Cl
_chemical_formula_sum   'Hf1 W2 Cl1'
_cell_volume   71.15
_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  0.0  0.67  1.0
  W  W1  1  0.65  0.38  0.89  1.0
  W  W2  1  0.89  0.62  0.13  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf W W Cl
HfW2Cl crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 4-coordinate geometry to one W(1), two equivalent W(2), and one Cl(1) atom. The Hf(1)-W(1) bond length is 2.90 Å. There is one shorter (2.20 Å) and one longer (2.32 Å) Hf(1)-W(2) bond length. The Hf(1)-Cl(1) bond length is 1.95 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 Cl(1) atom. The W(1)-W(2) bond length is 1.41 Å. The W(1)-Cl(1) bond length is 2.16 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 Cl(1) atom. The W(2)-Cl(1) bond length is 2.24 Å. Cl(1) is bonded in a 3-coordinate geometry to one Hf(1), one W(1), and one W(2) atom.