data_ScV2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Sn
_chemical_formula_sum   'Sc1 V2 Sn1'
_cell_volume   73.04
_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  0.47  1.0
  V  V2  1  0.0  0.0  0.29  1.0
  V  V3  1  0.79  0.0  0.61  1.0
  Sn  Sn1  1  0.79  0.0  0.92  1.0

data_ScV2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Sn
_chemical_formula_sum   'Sc1 V2 Sn1'
_cell_volume   73.04
_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  0.47  1.0
  V  V1  1  0.0  0.0  0.29  1.0
  V  V2  1  0.79  0.0  0.61  1.0
  Sn  Sn3  1  0.79  0.0  0.92  1.0

Sc V V Sn
ScV2Sn crystallizes in the triclinic P1 space group. Sc(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. The Sc(1)-V(1) bond length is 1.55 Å. The Sc(1)-V(2) bond length is 1.39 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Sc(1) and one Sn(1) atom. The V(1)-Sn(1) bond length is 3.19 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one Sc(1) and one Sn(1) atom. The V(2)-Sn(1) bond length is 2.60 Å. Sn(1) is bonded in a 6-coordinate geometry to one V(1), one V(2), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 2.99 Å.