data_TiSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   10.4
_cell_angle_alpha   18.22
_cell_angle_beta   18.22
_cell_angle_gamma   18.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiBi2
_chemical_formula_sum   'Ti1 Si1 Bi2'
_cell_volume   96.05
_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  Ti3  1  0.0  0.0  0.34  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.2  1.0
  Bi  Bi1  1  0.0  0.0  0.48  1.0

data_TiSiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSiBi2
_chemical_formula_sum   'Ti2 Si2 Bi4'
_cell_volume   192.09
_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  0.0  0.0  0.66  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.52  1.0
  Bi  Bi3  2  0.0  0.0  0.8  1.0

Ti Si Bi Bi
TiSiBi2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiSiBi2 clusters. Ti(1) is bonded in a linear geometry to one Bi(1) and one Bi(2) atom. The Ti(1)-Bi(1) bond length is 1.46 Å. The Ti(1)-Bi(2) bond length is 1.46 Å. Si(1) is bonded in a single-bond geometry to one Bi(1) atom. The Si(1)-Bi(1) bond length is 2.09 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted linear geometry to one Ti(1) and one Si(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Ti(1) atom.