data_Ga2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiB
_chemical_formula_sum   'Ga2 Bi1 B1'
_cell_volume   81.67
_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
  Ga  Ga2  1  0.0  0.0  0.42  1.0
  Ga  Ga3  1  0.83  0.0  0.38  1.0
  Bi  Bi1  1  0.83  0.0  0.39  1.0
  B  B0  1  0.0  0.0  0.28  1.0

data_Ga2BiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiB
_chemical_formula_sum   'Ga2 Bi1 B1'
_cell_volume   81.67
_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
  Ga  Ga0  1  0.0  0.0  0.42  1.0
  Ga  Ga1  1  0.83  0.0  0.38  1.0
  Bi  Bi2  1  0.83  0.0  0.39  1.0
  B  B3  1  0.0  0.0  0.28  1.0

Ga Ga Bi B
Ga Ga Bi B 0 2 - o o 0 1 - o o 0 3 o o o 1 2 o o o 1 3 + o o 2 3 + o o 
Ga2BBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ga2BBi cluster. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one B(1) and one Bi(1) atom. The Ga(1)-B(1) bond length is 1.06 Å. The Ga(1)-Bi(1) bond length is 0.64 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one B(1) and one Bi(1) atom. The Ga(2)-B(1) bond length is 0.97 Å. The Ga(2)-Bi(1) bond length is 0.03 Å. B(1) is bonded in a 2-coordinate geometry to one Ga(1) and one Ga(2) atom. Bi(1) is bonded in a single-bond geometry to one Ga(1) and one Ga(2) atom.