data_CaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV
_chemical_formula_sum   'Ca2 V2'
_cell_volume   95.38
_cell_formula_units_Z   2
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  0.33  0.19  0.6  1.0
  Ca  Ca1  1  0.33  0.81  0.97  1.0
  V  V2  1  0.33  0.19  0.73  1.0
  V  V3  1  0.33  0.81  0.85  1.0

data_CaV
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   CaV
_chemical_formula_sum   'Ca2 V2'
_cell_volume   95.41
_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, y, -z'
  4  '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  2  0.19  0.5  0.31  1.0
  V  V1  2  0.19  0.5  0.44  1.0

Ca Ca V V
VCa crystallizes in the monoclinic P2/m space group. The structure is zero-dimensional and consists of two VCa clusters. Ca(1) is bonded in a single-bond geometry to one V(1) atom. The Ca(1)-V(1) bond length is 1.09 Å. V(1) is bonded in a single-bond geometry to one Ca(1) atom.