data_SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   8.32
_cell_angle_alpha   106.25
_cell_angle_beta   106.25
_cell_angle_gamma   30.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi
_chemical_formula_sum   'Sn3 Bi3'
_cell_volume   179.96
_cell_formula_units_Z   3
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
  Sn  Sn3  1  0.71  0.0  0.32  1.0
  Sn  Sn4  1  0.25  0.0  0.91  1.0
  Sn  Sn5  1  0.1  0.0  0.47  1.0
  Bi  Bi0  1  0.58  0.0  0.88  1.0
  Bi  Bi1  1  0.84  0.0  0.71  1.0
  Bi  Bi2  1  0.38  0.0  0.24  1.0

data_SnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   6.72
_cell_length_c   8.32
_cell_angle_alpha   106.25
_cell_angle_beta   90.0
_cell_angle_gamma   105.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi
_chemical_formula_sum   'Sn3 Bi3'
_cell_volume   179.96
_cell_formula_units_Z   3
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
  Sn  Sn0  1  0.0  0.29  0.68  1.0
  Sn  Sn1  1  0.0  0.75  0.09  1.0
  Sn  Sn2  1  0.0  0.9  0.53  1.0
  Bi  Bi3  1  0.0  0.16  0.29  1.0
  Bi  Bi4  1  0.0  0.42  0.12  1.0
  Bi  Bi5  1  0.0  0.62  0.76  1.0

Sn Sn Sn Bi Bi Bi
SnBi crystallizes in the triclinic P1 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one Sn(3), one Bi(2), and one Bi(3) atom. The Sn(1)-Sn(3) bond length is 2.55 Å. The Sn(1)-Bi(2) bond length is 3.08 Å. The Sn(1)-Bi(3) bond length is 2.12 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Bi(3) atom. The Sn(2)-Bi(1) bond length is 2.24 Å. The Sn(2)-Bi(2) bond length is 2.79 Å. The Sn(2)-Bi(3) bond length is 2.63 Å. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Sn(1), one Bi(2), and one Bi(3) atom. The Sn(3)-Bi(2) bond length is 2.96 Å. The Sn(3)-Bi(3) bond length is 3.08 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 1-coordinate geometry to one Sn(2) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.60 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Sn(1), one Sn(2), one Sn(3), one Bi(1), and two equivalent Bi(2) atoms. Both Bi(2)-Bi(2) bond lengths are 3.48 Å. In the third Bi site, Bi(3) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one Sn(3) atom.