data_HfBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBrCl
_chemical_formula_sum   'Hf1 Br1 Cl1'
_cell_volume   64.72
_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  0.34  0.35  0.21  1.0
  Br  Br0  1  1.0  0.7  0.02  1.0
  Cl  Cl1  1  0.0  0.0  0.59  1.0

data_HfBrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBrCl
_chemical_formula_sum   'Hf1 Br1 Cl1'
_cell_volume   64.72
_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  0.21  0.34  0.35  1.0
  Br  Br1  1  0.02  1.0  0.7  1.0
  Cl  Cl2  1  0.59  0.0  0.0  1.0

Hf Br Cl
Hf Br Cl 0 2 o o o 1 2 + + - 1 2 + + o 
HfBrCl crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 1-coordinate geometry to three equivalent Br(1) and one Cl(1) atom. There are a spread of Hf(1)-Br(1) bond distances ranging from 2.71-2.88 Å. The Hf(1)-Cl(1) bond length is 2.09 Å. Br(1) is bonded in a 5-coordinate geometry to three equivalent Hf(1) and two equivalent Cl(1) atoms. There is one shorter (2.01 Å) and one longer (2.40 Å) Br(1)-Cl(1) bond length. Cl(1) is bonded in a 1-coordinate geometry to one Hf(1) and two equivalent Br(1) atoms.