data_ScV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.91
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   93.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Bi
_chemical_formula_sum   'Sc1 V2 Bi1'
_cell_volume   81.13
_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  0.97  0.45  0.94  1.0
  V  V3  1  0.8  0.45  0.35  1.0
  Bi  Bi0  1  0.38  0.0  0.65  1.0

data_ScV2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.91
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   93.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Bi
_chemical_formula_sum   'Sc1 V2 Bi1'
_cell_volume   81.13
_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  0.8  0.45  0.35  1.0
  V  V2  1  0.97  0.45  0.94  1.0
  Bi  Bi3  1  0.38  0.0  0.65  1.0

Sc V V Bi
ScV2Bi crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent Bi(1) atoms. There is one shorter (2.25 Å) and one longer (2.70 Å) Sc(1)-V(1) bond length. There is one shorter (2.30 Å) and one longer (2.60 Å) Sc(1)-Bi(1) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one V(2) atom. The V(1)-V(2) bond length is 2.22 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to one V(1) and one Bi(1) atom. The V(2)-Bi(1) bond length is 3.08 Å. Bi(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and one V(2) atom.