data_Ti2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaBi
_chemical_formula_sum   'Ti2 Ga1 Bi1'
_cell_volume   77.52
_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
  Ti  Ti2  1  0.56  0.56  0.7  1.0
  Ti  Ti3  1  0.56  0.56  0.26  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.98  1.0

data_Ti2GaBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2GaBi
_chemical_formula_sum   'Ti4 Ga2 Bi2'
_cell_volume   155.03
_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
  Ti  Ti0  2  0.06  0.5  0.26  1.0
  Ti  Ti1  2  0.06  0.5  0.7  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.98  1.0

Ti Ti Ga Bi
Ti2GaBi crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to one Ti(2), four equivalent Ti(1), and four equivalent Bi(1) atoms. The Ti(1)-Ti(2) bond length is 3.55 Å. All Ti(1)-Ti(1) bond lengths are 3.12 Å. There are a spread of Ti(1)-Bi(1) bond distances ranging from 2.94-3.31 Å. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Ti(2), and four equivalent Ga(1) atoms. All Ti(2)-Ti(2) bond lengths are 3.12 Å. There are a spread of Ti(2)-Ga(1) bond distances ranging from 2.82-3.21 Å. Ga(1) is bonded in a single-bond geometry to four equivalent Ti(2) and one Bi(1) atom. The Ga(1)-Bi(1) bond length is 0.16 Å. Bi(1) is bonded in a single-bond geometry to four equivalent Ti(1) and one Ga(1) atom.