data_Zr2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66
_cell_length_b   9.66
_cell_length_c   9.66
_cell_angle_alpha   19.1
_cell_angle_beta   19.1
_cell_angle_gamma   19.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VSn
_chemical_formula_sum   'Zr2 V1 Sn1'
_cell_volume   84.47
_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
  Zr  Zr2  1  0.0  0.0  0.26  1.0
  Zr  Zr3  1  0.0  0.0  0.36  1.0
  V  V1  1  0.0  0.0  0.1  1.0
  Sn  Sn0  1  0.0  0.0  0.41  1.0

data_Zr2VSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.21
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2VSn
_chemical_formula_sum   'Zr4 V2 Sn2'
_cell_volume   168.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.64  1.0
  Zr  Zr1  2  0.0  0.0  0.74  1.0
  V  V2  2  0.0  0.0  0.9  1.0
  Sn  Sn3  2  0.0  0.0  0.59  1.0

Zr Zr V Sn
Zr2VSn is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zr2VSn clusters. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a linear geometry to one Zr(2) and one V(1) atom. The Zr(1)-Zr(2) bond length is 0.91 Å. The Zr(1)-V(1) bond length is 1.55 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Sn(1) atom. The Zr(2)-Sn(1) bond length is 0.53 Å. V(1) is bonded in a single-bond geometry to one Zr(1) atom. Sn(1) is bonded in a single-bond geometry to one Zr(2) atom.