data_Hf2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   136.27
_cell_angle_beta   136.27
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiCl
_chemical_formula_sum   'Hf2 Bi1 Cl1'
_cell_volume   91.7
_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  0.16  0.0  0.46  1.0
  Hf  Hf3  1  0.0  0.0  0.93  1.0
  Bi  Bi0  1  0.0  0.16  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Hf2BiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.79
_cell_angle_alpha   111.86
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiCl
_chemical_formula_sum   'Hf2 Bi1 Cl1'
_cell_volume   91.7
_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  0.07  0.0  0.07  1.0
  Hf  Hf1  1  0.54  0.0  0.69  1.0
  Bi  Bi2  1  0.69  0.16  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Bi Cl
Hf2BiCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2BiCl cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Cl(1) atom. The Hf(1)-Bi(1) bond length is 0.96 Å. The Hf(1)-Cl(1) bond length is 2.12 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 0.43 Å. Bi(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. Cl(1) is bonded in a single-bond geometry to one Hf(1) and one Hf(2) atom.