data_TiZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBi2
_chemical_formula_sum   'Ti1 Zn1 Bi2'
_cell_volume   98.38
_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  0.0  0.0  0.39  1.0
  Zn  Zn3  1  0.91  0.91  0.02  1.0
  Bi  Bi0  1  0.0  0.0  0.25  1.0
  Bi  Bi1  1  0.91  0.91  0.24  1.0

data_TiZnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiZnBi2
_chemical_formula_sum   'Ti2 Zn2 Bi4'
_cell_volume   196.76
_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  0.39  1.0
  Zn  Zn1  2  0.41  0.5  0.02  1.0
  Bi  Bi2  2  0.0  0.0  0.25  1.0
  Bi  Bi3  2  0.41  0.5  0.24  1.0

Ti Zn Bi Bi
TiZnBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiZnBi2 clusters. Ti(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom. The Ti(1)-Bi(1) bond length is 0.97 Å. The Ti(1)-Bi(2) bond length is 1.14 Å. Zn(1) is bonded in a 2-coordinate geometry to one Bi(1) and one Bi(2) atom. The Zn(1)-Bi(1) bond length is 1.65 Å. The Zn(1)-Bi(2) bond length is 1.52 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted L-shaped geometry to one Ti(1), one Zn(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.50 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Ti(1), one Zn(1), and one Bi(1) atom.