data_TiSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Bi
_chemical_formula_sum   'Ti1 Sn2 Bi1'
_cell_volume   100.78
_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  0.0  1.0
  Sn  Sn1  1  0.33  0.0  0.32  1.0
  Sn  Sn2  1  0.0  0.33  0.32  1.0
  Bi  Bi0  1  0.33  0.33  0.0  1.0

data_TiSn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSn2Bi
_chemical_formula_sum   'Ti2 Sn4 Bi2'
_cell_volume   201.55
_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  0.0  1.0
  Sn  Sn1  4  0.16  0.16  0.32  1.0
  Bi  Bi2  2  0.33  0.0  0.0  1.0

Ti Sn Sn Bi
TiSn2Bi is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiSn2Bi clusters. Ti(1) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one Bi(1) atom. Both Ti(1)-Sn(1) bond lengths are 2.14 Å. The Ti(1)-Bi(1) bond length is 2.17 Å. Sn(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 2.14 Å. Bi(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Sn(1) atoms.