data_TaGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGaBi2
_chemical_formula_sum   'Ta1 Ga1 Bi2'
_cell_volume   99.58
_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
  Ta  Ta3  1  0.0  0.0  0.07  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.75  0.75  0.86  1.0
  Bi  Bi1  1  0.75  0.75  0.28  1.0

data_TaGaBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaGaBi2
_chemical_formula_sum   'Ta2 Ga2 Bi4'
_cell_volume   199.16
_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
  Ta  Ta0  2  0.0  0.0  0.07  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.25  0.5  0.28  1.0
  Bi  Bi3  2  0.25  0.5  0.86  1.0

Ta Ga Bi Bi
TaGaBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaGaBi2 clusters. Ta(1) is bonded in a distorted single-bond geometry to one Ga(1) and one Bi(2) atom. The Ta(1)-Ga(1) bond length is 0.56 Å. The Ta(1)-Bi(2) bond length is 2.10 Å. Ga(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Bi(1) atom. The Ga(1)-Bi(1) bond length is 1.68 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Ga(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Ta(1) atom.