data_VSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.36
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSb2Ir
_chemical_formula_sum   'V1 Sb2 Ir1'
_cell_volume   70.55
_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  0.0  1.0
  Sb  Sb1  1  0.56  0.68  0.87  1.0
  Sb  Sb2  1  0.63  0.68  0.57  1.0
  Ir  Ir0  1  0.96  0.0  0.22  1.0

data_VSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.36
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSb2Ir
_chemical_formula_sum   'V1 Sb2 Ir1'
_cell_volume   70.55
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.56  0.68  0.87  1.0
  Sb  Sb2  1  0.63  0.68  0.57  1.0
  Ir  Ir3  1  0.96  0.0  0.22  1.0

V Sb Sb Ir
VIrSb2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 1-coordinate geometry to one Ir(1) and four equivalent Sb(1) atoms. The V(1)-Ir(1) bond length is 1.41 Å. There are a spread of V(1)-Sb(1) bond distances ranging from 1.98-3.04 Å. Ir(1) is bonded in a single-bond geometry to one V(1) and one Sb(2) atom. The Ir(1)-Sb(2) bond length is 2.72 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to four equivalent V(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.98 Å. In the second Sb site, Sb(2) is bonded in a distorted bent 150 degrees geometry to one Ir(1) and one Sb(1) atom.