data_Ca2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   5.18
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VSn
_chemical_formula_sum   'Ca2 V1 Sn1'
_cell_volume   107.59
_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
  Ca  Ca0  1  0.18  0.59  0.56  1.0
  Ca  Ca1  1  0.89  0.59  0.71  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.03  0.0  0.13  1.0

data_Ca2VSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.18
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2VSn
_chemical_formula_sum   'Ca2 V1 Sn1'
_cell_volume   107.59
_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
  Ca  Ca0  1  0.18  0.59  0.56  1.0
  Ca  Ca1  1  0.89  0.59  0.71  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.03  0.0  0.13  1.0

Ca Ca V Sn
Ca2VSn crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(2) and one Sn(1) atom. There is one shorter (1.46 Å) and one longer (2.38 Å) Ca(1)-Ca(2) bond length. The Ca(1)-Sn(1) bond length is 3.41 Å. In the second Ca site, Ca(2) is bonded to two equivalent Ca(1) and two equivalent V(1) atoms to form distorted corner-sharing CaCa2V2 tetrahedra. There is one shorter (2.81 Å) and one longer (3.57 Å) Ca(2)-V(1) bond length. V(1) is bonded in a distorted single-bond geometry to two equivalent Ca(2) and one Sn(1) atom. The V(1)-Sn(1) bond length is 0.83 Å. Sn(1) is bonded in a single-bond geometry to one Ca(1) and one V(1) atom.