data_ScSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   138.13
_cell_angle_beta   138.13
_cell_angle_gamma   60.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnBi2
_chemical_formula_sum   'Sc1 Sn1 Bi2'
_cell_volume   109.74
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.25  0.0  0.71  1.0
  Bi  Bi0  1  0.0  0.0  0.43  1.0
  Bi  Bi1  1  0.0  0.25  0.71  1.0

data_ScSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.29
_cell_angle_alpha   110.94
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnBi2
_chemical_formula_sum   'Sc1 Sn1 Bi2'
_cell_volume   109.74
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.71  0.47  0.47  1.0
  Bi  Bi2  1  0.43  0.43  0.43  1.0
  Bi  Bi3  1  0.47  0.71  0.47  1.0

Sc Sn Bi Bi
ScSnBi2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 5-coordinate geometry to two equivalent Sn(1), one Bi(1), and two equivalent Bi(2) atoms. There is one shorter (3.14 Å) and one longer (3.60 Å) Sc(1)-Sn(1) bond length. The Sc(1)-Bi(1) bond length is 2.70 Å. There is one shorter (3.14 Å) and one longer (3.60 Å) Sc(1)-Bi(2) bond length. Sn(1) is bonded in a distorted single-bond geometry to two equivalent Sc(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 1.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sn(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.22 Å. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to two equivalent Sc(1) and one Bi(1) atom.