data_AlBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   114.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBr3
_chemical_formula_sum   'Al1 Br3'
_cell_volume   110.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.61  0.62  0.4  1.0
  Br  Br2  1  0.39  0.62  0.4  1.0
  Br  Br3  1  0.0  0.76  0.4  1.0

data_AlBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   114.14
_cell_angle_beta   104.26
_cell_angle_gamma   104.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBr3
_chemical_formula_sum   'Al1 Br3'
_cell_volume   110.57
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.4  0.01  0.78  1.0
  Br  Br2  1  0.4  0.4  0.65  1.0
  Br  Br3  1  0.4  0.79  0.78  1.0

Al Br Br Br
Al Br Br Br 0 2 - - - 0 2 o o o 0 1 - - - 0 1 o o o 1 2 o o o 1 3 + o o 
AlBr3 crystallizes in the triclinic P1 space group. Al(1) is bonded in a 2-coordinate geometry to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms. There is one shorter (2.25 Å) and one longer (2.59 Å) Al(1)-Br(1) bond length. There is one shorter (2.34 Å) and one longer (2.56 Å) Al(1)-Br(2) bond length. There is one shorter (3.11 Å) and one longer (3.12 Å) Al(1)-Br(3) bond length. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1), one Br(2), and one Br(3) atom. The Br(1)-Br(2) bond length is 1.29 Å. The Br(1)-Br(3) bond length is 2.01 Å. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent Al(1), one Br(1), and one Br(3) atom. The Br(2)-Br(3) bond length is 2.60 Å. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Al(1), one Br(1), and one Br(2) atom.