data_HfBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBrCl2
_chemical_formula_sum   'Hf1 Br1 Cl2'
_cell_volume   98.23
_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  Hf3  1  0.78  0.78  0.24  1.0
  Br  Br0  1  0.0  0.0  0.26  1.0
  Cl  Cl1  1  0.78  0.78  0.83  1.0
  Cl  Cl2  1  0.0  0.0  0.32  1.0

data_HfBrCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBrCl2
_chemical_formula_sum   'Hf2 Br2 Cl4'
_cell_volume   196.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.28  0.5  0.24  1.0
  Br  Br1  2  0.0  0.0  0.26  1.0
  Cl  Cl2  2  0.0  0.0  0.32  1.0
  Cl  Cl3  2  0.28  0.5  0.83  1.0

Hf Br Cl Cl
HfBrCl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfBrCl2 clusters. Hf(1) is bonded in a distorted single-bond geometry to one Br(1) and one Cl(1) atom. The Hf(1)-Br(1) bond length is 1.13 Å. The Hf(1)-Cl(1) bond length is 3.21 Å. Br(1) is bonded in a distorted water-like geometry to one Hf(1) and one Cl(2) atom. The Br(1)-Cl(2) bond length is 0.41 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Br(1) atom.