data_Be2BBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   36.21
_cell_angle_beta   36.21
_cell_angle_gamma   36.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BBr
_chemical_formula_sum   'Be2 B1 Br1'
_cell_volume   54.15
_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  0.0  0.0  0.54  1.0
  Be  Be2  1  0.0  0.0  0.07  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.81  1.0

data_Be2BBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   3.47
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   111.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2BBr
_chemical_formula_sum   'Be4 B2 Br2'
_cell_volume   108.3
_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
  Be  Be0  2  0.0  0.0  0.46  1.0
  Be  Be1  2  0.0  0.0  0.93  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Br  Br3  2  0.0  0.0  0.19  1.0

Be Be B Br
Be2BBr is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Be2BBr clusters. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Br(1) atom. The Be(1)-Br(1) bond length is 1.48 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one B(1) atom. The Be(2)-B(1) bond length is 0.40 Å. B(1) is bonded in a linear geometry to one Be(2) and one Br(1) atom. The B(1)-Br(1) bond length is 1.07 Å. Br(1) is bonded in a linear geometry to one Be(1) and one B(1) atom.