data_SiSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.15
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   98.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Bi
_chemical_formula_sum   'Si1 Sn2 Bi1'
_cell_volume   104.39
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.39  0.57  0.36  1.0
  Sn  Sn3  1  0.98  0.57  0.74  1.0
  Bi  Bi0  1  0.18  0.0  0.05  1.0

data_SiSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.15
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   98.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Bi
_chemical_formula_sum   'Si1 Sn2 Bi1'
_cell_volume   104.39
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.39  0.57  0.36  1.0
  Sn  Sn2  1  0.98  0.57  0.74  1.0
  Bi  Bi3  1  0.18  0.0  0.05  1.0

Si Sn Sn Bi
Sn2SiBi crystallizes in the triclinic P1 space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Bi(1) atoms. Both Sn(1)-Sn(1) bond lengths are 3.33 Å. There is one shorter (2.81 Å) and one longer (2.87 Å) Sn(1)-Sn(2) bond length. There is one shorter (2.92 Å) and one longer (3.53 Å) Sn(1)-Bi(1) bond length. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one Si(1) atom. The Sn(2)-Si(1) bond length is 2.73 Å. Si(1) is bonded in a single-bond geometry to one Sn(2) and one Bi(1) atom. The Si(1)-Bi(1) bond length is 0.64 Å. Bi(1) is bonded in a single-bond geometry to two equivalent Sn(1) and one Si(1) atom.