data_CuAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsIr2
_chemical_formula_sum   'Cu1 As1 Ir2'
_cell_volume   59.24
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.44  1.0
  Ir  Ir2  1  0.4  0.0  0.17  1.0
  Ir  Ir3  1  0.4  0.0  0.72  1.0

data_CuAsIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.76
_cell_length_b   4.82
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuAsIr2
_chemical_formula_sum   'Cu2 As2 Ir4'
_cell_volume   118.48
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.44  1.0
  Ir  Ir2  2  0.4  0.0  0.17  1.0
  Ir  Ir3  2  0.4  0.0  0.72  1.0

Cu As Ir Ir
Cu As Ir Ir 0 2 - o o 0 2 o o o 0 3 o o - 0 3 - o - 1 1 + + o 1 1 o + o 1 1 + o o 1 2 - o o 1 2 o o o 1 3 - o o 1 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
Ir2CuAs crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) and two equivalent As(1) atoms. There is one shorter (1.87 Å) and one longer (2.25 Å) Ir(1)-Cu(1) bond length. There is one shorter (2.66 Å) and one longer (2.94 Å) Ir(1)-As(1) bond length. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to six equivalent Ir(2), two equivalent Cu(1), and two equivalent As(1) atoms. There are four shorter (2.76 Å) and two longer (2.79 Å) Ir(2)-Ir(2) bond lengths. There is one shorter (2.75 Å) and one longer (3.02 Å) Ir(2)-Cu(1) bond length. There is one shorter (2.66 Å) and one longer (2.94 Å) Ir(2)-As(1) bond length. Cu(1) is bonded in a 1-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms. As(1) is bonded in a 10-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), and six equivalent As(1) atoms. There are four shorter (2.76 Å) and two longer (2.79 Å) As(1)-As(1) bond lengths.