data_ZnSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnBi2
_chemical_formula_sum   'Zn1 Sn1 Bi2'
_cell_volume   110.56
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.81  1.0
  Bi  Bi0  1  0.09  0.0  0.15  1.0
  Bi  Bi1  1  0.09  0.0  0.47  1.0

data_ZnSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnBi2
_chemical_formula_sum   'Zn1 Sn1 Bi2'
_cell_volume   110.56
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.81  1.0
  Bi  Bi2  1  0.09  0.0  0.15  1.0
  Bi  Bi3  1  0.09  0.0  0.47  1.0

Zn Sn Bi Bi
Zn Sn Bi Bi 0 2 o o o 0 1 o o - 1 3 o o o 2 3 o o o 3 3 o + o 3 3 + o o 
ZnSnBi2 crystallizes in the triclinic P1 space group. Zn(1) is bonded in a linear geometry to one Sn(1) and one Bi(1) atom. The Zn(1)-Sn(1) bond length is 1.82 Å. The Zn(1)-Bi(1) bond length is 1.50 Å. Sn(1) is bonded in a single-bond geometry to one Zn(1) and one Bi(2) atom. The Sn(1)-Bi(2) bond length is 3.30 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Zn(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 3.05 Å. In the second Bi site, Bi(2) is bonded to one Sn(1), one Bi(1), and four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing BiSnBi5 octahedra. The corner-sharing octahedra are not tilted. All Bi(2)-Bi(2) bond lengths are 3.45 Å.