data_Hf2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   137.1
_cell_angle_beta   113.14
_cell_angle_gamma   82.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeCl
_chemical_formula_sum   'Hf2 Fe1 Cl1'
_cell_volume   71.11
_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  0.79  0.0  0.91  1.0
  Hf  Hf3  1  0.0  0.7  0.77  1.0
  Fe  Fe1  1  0.0  0.0  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf2FeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   66.86
_cell_angle_beta   68.55
_cell_angle_gamma   68.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeCl
_chemical_formula_sum   'Hf2 Fe1 Cl1'
_cell_volume   71.11
_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  0.11  0.79  0.09  1.0
  Hf  Hf1  1  0.77  0.0  0.93  1.0
  Fe  Fe2  1  0.68  0.0  0.32  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Fe Cl
Hf2FeCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2FeCl cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Cl(1) atom. The Hf(1)-Cl(1) bond length is 0.94 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Cl(1) atom. The Hf(2)-Cl(1) bond length is 1.00 Å. Fe(1) is bonded in a 1-coordinate geometry to one Cl(1) atom. The Fe(1)-Cl(1) bond length is 1.59 Å. Cl(1) is bonded in a distorted water-like geometry to one Hf(1), one Hf(2), and one Fe(1) atom.