data_Be3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Bi
_chemical_formula_sum   'Be6 Bi2'
_cell_volume   118.84
_cell_formula_units_Z   2
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  0.57  0.12  0.59  1.0
  Be  Be1  1  0.57  0.88  0.86  1.0
  Be  Be2  1  0.65  0.72  0.59  1.0
  Be  Be3  1  0.49  0.28  0.86  1.0
  Be  Be4  1  0.65  0.28  0.86  1.0
  Be  Be5  1  0.49  0.72  0.59  1.0
  Bi  Bi6  1  0.57  0.25  0.59  1.0
  Bi  Bi7  1  0.57  0.75  0.86  1.0

data_Be3Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.46
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   106.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be3Bi
_chemical_formula_sum   'Be6 Bi2'
_cell_volume   118.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.36  0.5  0.12  1.0
  Be  Be1  2  0.36  0.58  0.72  1.0
  Be  Be2  2  0.36  0.42  0.72  1.0
  Bi  Bi3  2  0.36  0.5  0.25  1.0

Be Be Be Be Be Be Bi Bi
Be3Bi is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Be3Bi clusters. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Bi(1) atom. The Be(1)-Bi(1) bond length is 0.78 Å. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Be(3) and one Bi(1) atom. The Be(2)-Be(3) bond length is 0.96 Å. The Be(2)-Bi(1) bond length is 1.11 Å. In the third Be site, Be(3) is bonded in a 2-coordinate geometry to one Be(2) and one Bi(1) atom. The Be(3)-Bi(1) bond length is 1.05 Å. Bi(1) is bonded in a 3-coordinate geometry to one Be(1), one Be(2), and one Be(3) atom.