data_Be2AlBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.23
_cell_angle_alpha   97.17
_cell_angle_beta   97.17
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlBr
_chemical_formula_sum   'Be2 Al1 Br1'
_cell_volume   60.27
_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
  Be  Be1  1  0.1  0.0  0.18  1.0
  Be  Be2  1  0.66  0.0  0.91  1.0
  Al  Al0  1  0.13  0.0  0.37  1.0
  Br  Br3  1  0.54  0.0  0.84  1.0

data_Be2AlBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.23
_cell_length_c   4.99
_cell_angle_alpha   97.17
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlBr
_chemical_formula_sum   'Be2 Al1 Br1'
_cell_volume   60.27
_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
  Be  Be0  1  0.0  0.18  0.1  1.0
  Be  Be1  1  0.0  0.91  0.66  1.0
  Al  Al2  1  0.0  0.37  0.13  1.0
  Br  Br3  1  0.0  0.84  0.54  1.0

Be Be Al Br
Be2AlBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Be2AlBr cluster. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Al(1) atom. The Be(1)-Al(1) bond length is 0.80 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Br(1) atom. The Be(2)-Br(1) bond length is 0.62 Å. Al(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Br(1) atom. The Al(1)-Br(1) bond length is 2.67 Å. Br(1) is bonded in a single-bond geometry to one Be(2) and one Al(1) atom.