data_AsIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   152.79
_cell_angle_beta   139.33
_cell_angle_gamma   49.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrCl2
_chemical_formula_sum   'As1 Ir1 Cl2'
_cell_volume   92.39
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.15  1.0
  Cl  Cl1  1  0.0  0.36  0.8  1.0
  Cl  Cl2  1  0.59  0.0  0.35  1.0

data_AsIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.71
_cell_length_c   6.78
_cell_angle_alpha   110.33
_cell_angle_beta   103.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrCl2
_chemical_formula_sum   'As1 Ir1 Cl2'
_cell_volume   92.39
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.85  0.85  0.85  1.0
  Cl  Cl2  1  0.2  0.56  0.56  1.0
  Cl  Cl3  1  0.24  0.65  0.24  1.0

As Ir Cl Cl
IrAsCl2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 3-coordinate geometry to one As(1) and two equivalent Cl(1) atoms. The Ir(1)-As(1) bond length is 1.03 Å. Both Ir(1)-Cl(1) bond lengths are 2.50 Å. As(1) is bonded in a 3-coordinate geometry to one Ir(1) and two equivalent Cl(2) atoms. There is one shorter (2.71 Å) and one longer (2.92 Å) As(1)-Cl(2) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ir(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 2.35 Å. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent As(1) and one Cl(1) atom.