data_BaSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnBi2
_chemical_formula_sum   'Ba1 Sn1 Bi2'
_cell_volume   138.06
_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
  Ba  Ba0  1  0.0  0.0  0.49  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.72  0.0  0.03  1.0
  Bi  Bi2  1  0.72  0.0  0.95  1.0

data_BaSnBi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaSnBi2
_chemical_formula_sum   'Ba1 Sn1 Bi2'
_cell_volume   138.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.0  0.0  0.49  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.72  0.0  0.03  1.0
  Bi  Bi3  1  0.72  0.0  0.95  1.0

Ba Sn Bi Bi
BaSnBi2 crystallizes in the monoclinic Pm space group. Ba(1) is bonded to four equivalent Ba(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing BaBa4Bi2 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-Ba(1) bond lengths are 3.92 Å. The Ba(1)-Bi(1) bond length is 4.24 Å. The Ba(1)-Bi(2) bond length is 4.24 Å. Sn(1) is bonded in a 2-coordinate geometry to one Bi(1) and one Bi(2) atom. The Sn(1)-Bi(1) bond length is 1.12 Å. The Sn(1)-Bi(2) bond length is 1.19 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sn(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.77 Å. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to one Ba(1), one Sn(1), and one Bi(1) atom.