data_AsIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr3
_chemical_formula_sum   'As1 Ir3'
_cell_volume   61.46
_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  0.36  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.68  1.0
  Ir  Ir3  1  0.36  0.0  0.36  1.0

data_AsIr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.77
_cell_length_b   4.74
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIr3
_chemical_formula_sum   'As2 Ir6'
_cell_volume   122.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.32  1.0
  Ir  Ir2  2  0.14  0.5  0.64  1.0
  Ir  Ir3  2  0.14  0.5  1.0  1.0

As Ir Ir Ir
Ir3As crystallizes in the triclinic P1 space group. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to one Ir(3) and one As(1) atom. The Ir(1)-Ir(3) bond length is 3.31 Å. The Ir(1)-As(1) bond length is 1.00 Å. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to one Ir(3), six equivalent Ir(2), and one As(1) atom. The Ir(2)-Ir(3) bond length is 3.18 Å. There are two shorter (2.72 Å) and four longer (2.77 Å) Ir(2)-Ir(2) bond lengths. The Ir(2)-As(1) bond length is 3.00 Å. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to one Ir(1), one Ir(2), and six equivalent Ir(3) atoms. There are two shorter (2.72 Å) and four longer (2.77 Å) Ir(3)-Ir(3) bond lengths. As(1) is bonded in a 1-coordinate geometry to one Ir(1) and one Ir(2) atom.