data_CaVIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   135.6
_cell_angle_beta   135.6
_cell_angle_gamma   64.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVIr2
_chemical_formula_sum   'Ca1 V1 Ir2'
_cell_volume   66.28
_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  0.0  0.95  0.18  1.0
  Ir  Ir1  1  0.95  0.0  0.18  1.0
  Ir  Ir2  1  0.0  0.0  0.36  1.0

data_CaVIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.16
_cell_angle_alpha   112.2
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVIr2
_chemical_formula_sum   'Ca1 V1 Ir2'
_cell_volume   66.28
_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  0.23  0.18  0.23  1.0
  Ir  Ir2  1  0.18  0.23  0.23  1.0
  Ir  Ir3  1  0.36  0.36  0.36  1.0

Ca V Ir Ir
CaVIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaVIr2 cluster. Ca(1) is bonded in a 2-coordinate geometry to one V(1) and one Ir(1) atom. The Ca(1)-V(1) bond length is 1.13 Å. The Ca(1)-Ir(1) bond length is 1.13 Å. V(1) is bonded in a single-bond geometry to one Ca(1), one Ir(1), and one Ir(2) atom. The V(1)-Ir(1) bond length is 0.28 Å. The V(1)-Ir(2) bond length is 0.77 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ca(1) and one V(1) atom. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one V(1) atom.