data_CaVNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   149.71
_cell_angle_beta   149.71
_cell_angle_gamma   43.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVNi
_chemical_formula_sum   'Ca1 V1 Ni1'
_cell_volume   55.82
_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  0.0  0.0  0.07  1.0
  V  V2  1  0.0  0.0  0.19  1.0
  Ni  Ni1  1  0.0  0.0  0.96  1.0

data_CaVNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   111.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaVNi
_chemical_formula_sum   'Ca2 V2 Ni2'
_cell_volume   111.64
_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
  Ca  Ca0  2  0.07  0.0  0.07  1.0
  V  V1  2  0.19  0.0  0.19  1.0
  Ni  Ni2  2  0.46  0.5  0.96  1.0

Ca V Ni
Ca V Ni 0 2 o o - 0 1 o o o 
CaVNi is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaVNi clusters. Ca(1) is bonded in a linear geometry to one V(1) and one Ni(1) atom. The Ca(1)-V(1) bond length is 0.73 Å. The Ca(1)-Ni(1) bond length is 0.65 Å. V(1) is bonded in a single-bond geometry to one Ca(1) atom. Ni(1) is bonded in a single-bond geometry to one Ca(1) atom.