data_AlGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   5.14
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaBi2
_chemical_formula_sum   'Al1 Ga1 Bi2'
_cell_volume   108.56
_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
  Al  Al0  1  0.69  0.0  0.48  1.0
  Ga  Ga3  1  0.66  0.57  0.26  1.0
  Bi  Bi1  1  0.05  0.57  0.86  1.0
  Bi  Bi2  1  0.44  0.0  0.97  1.0

data_AlGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.14
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaBi2
_chemical_formula_sum   'Al1 Ga1 Bi2'
_cell_volume   108.56
_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
  Al  Al0  1  0.69  0.0  0.48  1.0
  Ga  Ga1  1  0.66  0.57  0.26  1.0
  Bi  Bi2  1  0.05  0.57  0.86  1.0
  Bi  Bi3  1  0.44  0.0  0.97  1.0

Al Ga Bi Bi
Al Ga Bi Bi 0 1 o - o 0 1 o o o 0 3 o o - 0 3 o o o 0 0 + o o 0 2 + - o 1 3 o + - 1 3 o o - 1 2 o o - 1 2 + o - 1 1 + o o 2 3 - + o 2 3 o o o 2 3 o + o 2 2 + o o 3 3 + o o 
GaAlBi2 crystallizes in the triclinic P1 space group. Ga(1) is bonded in a 4-coordinate geometry to one Al(1), one Bi(2), and two equivalent Bi(1) atoms. The Ga(1)-Al(1) bond length is 2.61 Å. The Ga(1)-Bi(2) bond length is 2.94 Å. There is one shorter (2.83 Å) and one longer (3.21 Å) Ga(1)-Bi(1) bond length. Al(1) is bonded in a 3-coordinate geometry to one Ga(1) and two equivalent Bi(2) atoms. There is one shorter (3.18 Å) and one longer (3.29 Å) Al(1)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 1-coordinate geometry to two equivalent Ga(1) and three equivalent Bi(2) atoms. There are a spread of Bi(1)-Bi(2) bond distances ranging from 2.65-3.28 Å. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Ga(1), two equivalent Al(1), two equivalent Bi(2), and three equivalent Bi(1) atoms. Both Bi(2)-Bi(2) bond lengths are 3.39 Å.