data_BaAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsIr2
_chemical_formula_sum   'Ba1 As1 Ir2'
_cell_volume   81.8
_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
  Ba  Ba1  1  0.15  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.58  0.02  0.64  1.0
  Ir  Ir3  1  0.58  0.98  0.64  1.0

data_BaAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   102.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsIr2
_chemical_formula_sum   'Ba1 As1 Ir2'
_cell_volume   81.8
_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
  Ba  Ba0  1  0.0  0.15  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.64  0.58  0.02  1.0
  Ir  Ir3  1  0.64  0.58  0.98  1.0

Ba As Ir Ir
Ba As Ir Ir 0 1 o o o 2 3 o - o 
BaAs(Ir)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one iridium molecule and one BaAs cluster. In the BaAs cluster, Ba(1) is bonded in a single-bond geometry to one As(1) atom. The Ba(1)-As(1) bond length is 0.77 Å. As(1) is bonded in a single-bond geometry to one Ba(1) atom.