data_HfCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCl
_chemical_formula_sum   'Hf2 Cl2'
_cell_volume   93.27
_cell_formula_units_Z   2
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  Hf2  1  0.65  0.95  0.72  1.0
  Hf  Hf3  1  0.0  0.91  0.16  1.0
  Cl  Cl0  1  0.65  0.95  0.97  1.0
  Cl  Cl1  1  0.0  0.91  0.91  1.0

data_HfCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfCl
_chemical_formula_sum   'Hf2 Cl2'
_cell_volume   93.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.33  0.52  0.28  1.0
  Cl  Cl1  2  0.33  0.52  0.53  1.0

Hf Hf Cl Cl
HfCl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one HfCl cluster. Hf(1) is bonded in a 1-coordinate geometry to one Cl(1) atom. The Hf(1)-Cl(1) bond length is 2.20 Å. Cl(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Cl(1) atom. The Cl(1)-Cl(1) bond length is 1.39 Å.