data_HfAlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlBr2
_chemical_formula_sum   'Hf1 Al1 Br2'
_cell_volume   91.69
_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  0.23  0.23  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.23  0.3  1.0
  Br  Br2  1  0.23  0.0  0.3  1.0

data_HfAlBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlBr2
_chemical_formula_sum   'Hf2 Al2 Br4'
_cell_volume   183.38
_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  0.23  0.0  -0.0  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Br  Br2  4  0.12  0.12  0.3  1.0

Hf Al Br Br
HfAlBr2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfAlBr2 clusters. Hf(1) is bonded in a 3-coordinate geometry to one Al(1) and two equivalent Br(1) atoms. The Hf(1)-Al(1) bond length is 1.47 Å. Both Hf(1)-Br(1) bond lengths are 1.72 Å. Al(1) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Br(1) atoms. Both Al(1)-Br(1) bond lengths are 1.72 Å. Br(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Al(1) atom.