data_Be2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.16
_cell_angle_alpha   116.53
_cell_angle_beta   116.53
_cell_angle_gamma   51.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbBr
_chemical_formula_sum   'Be2 Sb1 Br1'
_cell_volume   78.68
_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  0.7  0.0  0.35  1.0
  Be  Be1  1  0.99  0.0  0.86  1.0
  Sb  Sb3  1  0.85  0.0  0.11  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Be2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.02
_cell_length_c   6.46
_cell_angle_alpha   82.65
_cell_angle_beta   74.3
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbBr
_chemical_formula_sum   'Be2 Sb1 Br1'
_cell_volume   78.68
_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  0.13  0.86  1.0
  Be  Be1  1  0.0  0.35  0.35  1.0
  Sb  Sb2  1  0.0  0.74  0.11  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Be Be Sb Br
Be Be Sb Br 0 2 o o o 1 3 + o + 2 3 + o o 
Be2SbBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Be2SbBr cluster. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Be(1)-Sb(1) bond length is 2.08 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 0.97 Å. Sb(1) is bonded in a distorted single-bond geometry to one Be(1) and one Br(1) atom. The Sb(1)-Br(1) bond length is 1.18 Å. Br(1) is bonded in a bent 150 degrees geometry to one Be(2) and one Sb(1) atom.