data_CaVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.11
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   94.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVNi2
_chemical_formula_sum   'Ca1 V1 Ni2'
_cell_volume   62.09
_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  0.0  1.0
  V  V3  1  0.76  0.0  0.33  1.0
  Ni  Ni1  1  0.32  0.56  0.1  1.0
  Ni  Ni2  1  0.2  0.56  0.55  1.0

data_CaVNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.11
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   94.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVNi2
_chemical_formula_sum   'Ca1 V1 Ni2'
_cell_volume   62.09
_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  0.0  1.0
  V  V1  1  0.76  0.0  0.33  1.0
  Ni  Ni2  1  0.2  0.56  0.55  1.0
  Ni  Ni3  1  0.32  0.56  0.1  1.0

Ca V Ni Ni
Ca V Ni Ni 0 2 o - o 0 2 o o o 0 1 - o o 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 1 3 o - o 1 3 o o o 1 3 + - o 1 3 + o o 1 1 + o o 2 3 o o o 3 3 + o o 3 3 o + o 
CaVNi2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 2-coordinate geometry to one V(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. The Ca(1)-V(1) bond length is 2.34 Å. There is one shorter (1.79 Å) and one longer (2.07 Å) Ca(1)-Ni(1) bond length. There is one shorter (3.38 Å) and one longer (3.54 Å) Ca(1)-Ni(2) bond length. V(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. There are a spread of V(1)-Ni(1) bond distances ranging from 2.38-2.90 Å. There are a spread of V(1)-Ni(2) bond distances ranging from 2.37-2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and four equivalent V(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent V(1) atoms.