data_HfNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   127.37
_cell_angle_beta   127.37
_cell_angle_gamma   77.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiCl2
_chemical_formula_sum   'Hf1 Ni1 Cl2'
_cell_volume   67.63
_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  Hf2  1  0.13  0.0  0.87  1.0
  Ni  Ni3  1  0.0  0.0  0.74  1.0
  Cl  Cl0  1  0.0  0.13  0.87  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_HfNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.8
_cell_angle_alpha   116.31
_cell_angle_beta   116.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiCl2
_chemical_formula_sum   'Hf1 Ni1 Cl2'
_cell_volume   67.63
_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  0.13  0.0  0.26  1.0
  Ni  Ni1  1  0.26  0.0  0.26  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.26  0.13  0.26  1.0

Hf Ni Cl Cl
HfNiCl2 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfNiCl2 cluster. Hf(1) is bonded in a 3-coordinate geometry to one Ni(1), one Cl(1), and one Cl(2) atom. The Hf(1)-Ni(1) bond length is 0.55 Å. The Hf(1)-Cl(1) bond length is 0.76 Å. The Hf(1)-Cl(2) bond length is 1.11 Å. Ni(1) is bonded in an L-shaped geometry to one Hf(1) and one Cl(1) atom. The Ni(1)-Cl(1) bond length is 0.55 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Ni(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Hf(1) atom.