data_ScTiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.34
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiBi2
_chemical_formula_sum   'Sc1 Ti1 Bi2'
_cell_volume   96.93
_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
  Ti  Ti3  1  0.0  0.17  0.78  1.0
  Bi  Bi0  1  0.01  0.17  0.0  1.0
  Bi  Bi1  1  0.01  0.0  0.78  1.0

data_ScTiBi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.34
_cell_length_b   4.02
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTiBi2
_chemical_formula_sum   'Sc1 Ti1 Bi2'
_cell_volume   96.93
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.17  0.0  0.78  1.0
  Bi  Bi2  1  0.0  0.0  0.78  1.0
  Bi  Bi3  1  0.17  0.0  0.0  1.0

Sc Ti Bi Bi
ScTiBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScTiBi2 cluster. Sc(1) is bonded in a distorted L-shaped geometry to one Bi(1) and one Bi(2) atom. The Sc(1)-Bi(1) bond length is 0.73 Å. The Sc(1)-Bi(2) bond length is 1.23 Å. Ti(1) is bonded in a distorted L-shaped geometry to one Bi(1) and one Bi(2) atom. The Ti(1)-Bi(1) bond length is 1.23 Å. The Ti(1)-Bi(2) bond length is 0.73 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted L-shaped geometry to one Sc(1) and one Ti(1) atom. In the second Bi site, Bi(2) is bonded in an L-shaped geometry to one Sc(1) and one Ti(1) atom.