data_VSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Ge
_chemical_formula_sum   'V1 Sn2 Ge1'
_cell_volume   82.41
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.96  0.0  0.61  1.0
  Sn  Sn2  1  0.96  0.0  0.94  1.0
  Ge  Ge0  1  0.0  0.0  0.28  1.0

data_VSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Ge
_chemical_formula_sum   'V1 Sn2 Ge1'
_cell_volume   82.41
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.96  0.0  0.61  1.0
  Sn  Sn2  1  0.96  0.0  0.94  1.0
  Ge  Ge3  1  0.0  0.0  0.28  1.0

V Sn Sn Ge
VSn2Ge crystallizes in the triclinic P1 space group. V(1) is bonded in a single-bond geometry to one Sn(2) and one Ge(1) atom. The V(1)-Sn(2) bond length is 0.53 Å. The V(1)-Ge(1) bond length is 2.36 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Sn(2), four equivalent Sn(1), and one Ge(1) atom to form a mixture of corner and edge-sharing SnSn5Ge octahedra. The corner-sharing octahedra are not tilted. The Sn(1)-Sn(2) bond length is 2.80 Å. All Sn(1)-Sn(1) bond lengths are 3.14 Å. The Sn(1)-Ge(1) bond length is 2.88 Å. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one V(1) and one Sn(1) atom. Ge(1) is bonded in a distorted single-bond geometry to one V(1) and one Sn(1) atom.