data_ScV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Bi
_chemical_formula_sum   'Sc1 V2 Bi1'
_cell_volume   78.18
_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  Sc1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.85  0.0  0.17  1.0
  V  V3  1  0.85  0.0  0.45  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0

data_ScV2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Bi
_chemical_formula_sum   'Sc1 V2 Bi1'
_cell_volume   78.18
_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
  V  V1  1  0.85  0.0  0.17  1.0
  V  V2  1  0.85  0.0  0.45  1.0
  Bi  Bi3  1  0.0  0.0  0.31  1.0

Sc V V Bi
ScV2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScV2Bi cluster. Sc(1) is bonded in a single-bond geometry to one V(1) atom. The Sc(1)-V(1) bond length is 1.53 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one Bi(1) atom. The V(1)-Bi(1) bond length is 1.28 Å. In the second V site, V(2) is bonded in a single-bond geometry to one Bi(1) atom. The V(2)-Bi(1) bond length is 1.28 Å. Bi(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom.