data_VIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   109.81
_cell_angle_beta   109.81
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrCl2
_chemical_formula_sum   'V1 Ir1 Cl2'
_cell_volume   66.05
_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
  V  V3  1  0.0  0.0  0.57  1.0
  Ir  Ir2  1  0.54  0.0  0.28  1.0
  Cl  Cl0  1  0.0  0.54  0.28  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_VIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   108.8
_cell_angle_beta   109.81
_cell_angle_gamma   109.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrCl2
_chemical_formula_sum   'V1 Ir1 Cl2'
_cell_volume   66.05
_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
  V  V0  1  0.57  0.0  0.0  1.0
  Ir  Ir1  1  0.28  0.54  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.28  0.0  0.54  1.0

V Ir Cl Cl
VIrCl2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 4-coordinate geometry to one Ir(1), one Cl(1), and two equivalent Cl(2) atoms. The V(1)-Ir(1) bond length is 2.01 Å. The V(1)-Cl(1) bond length is 2.01 Å. There is one shorter (1.91 Å) and one longer (2.50 Å) V(1)-Cl(2) bond length. Ir(1) is bonded in a 4-coordinate geometry to one V(1), one Cl(2), and two equivalent Cl(1) atoms. The Ir(1)-Cl(2) bond length is 2.27 Å. Both Ir(1)-Cl(1) bond lengths are 2.58 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Ir(1) atoms. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to two equivalent V(1) and one Ir(1) atom.