data_ScBe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Br
_chemical_formula_sum   'Sc1 Be2 Br1'
_cell_volume   63.39
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.91  0.18  1.0
  Be  Be1  1  0.91  0.0  0.18  1.0
  Br  Br2  1  0.91  0.91  0.0  1.0

data_ScBe2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBe2Br
_chemical_formula_sum   'Sc2 Be4 Br2'
_cell_volume   126.78
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.45  0.45  0.18  1.0
  Br  Br2  2  0.41  0.5  -0.0  1.0

Sc Be Be Br
Be2ScBr is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Be2ScBr clusters. Be(1) is bonded in a 3-coordinate geometry to one Be(1), one Sc(1), and one Br(1) atom. The Be(1)-Be(1) bond length is 0.50 Å. The Be(1)-Sc(1) bond length is 0.86 Å. The Be(1)-Br(1) bond length is 0.86 Å. Sc(1) is bonded in a single-bond geometry to two equivalent Be(1) and one Br(1) atom. The Sc(1)-Br(1) bond length is 0.50 Å. Br(1) is bonded in a distorted single-bond geometry to two equivalent Be(1) and one Sc(1) atom.