data_GaCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   148.19
_cell_angle_beta   126.24
_cell_angle_gamma   63.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuIr2
_chemical_formula_sum   'Ga1 Cu1 Ir2'
_cell_volume   56.94
_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
  Ga  Ga1  1  0.0  0.0  0.36  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.41  0.0  0.28  1.0
  Ir  Ir3  1  0.0  0.32  0.08  1.0

data_GaCuIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.64
_cell_length_c   5.13
_cell_angle_alpha   116.88
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuIr2
_chemical_formula_sum   'Ga1 Cu1 Ir2'
_cell_volume   56.94
_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
  Ga  Ga0  1  0.0  0.36  0.36  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.28  0.87  1.0
  Ir  Ir3  1  0.68  0.76  0.76  1.0

Ga Cu Ir Ir
Ir2CuGa crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Ga(1) atoms. The Ir(1)-Cu(1) bond length is 1.70 Å. There is one shorter (2.35 Å) and one longer (2.83 Å) Ir(1)-Ga(1) bond length. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Ga(1) atoms. The Ir(2)-Cu(1) bond length is 1.33 Å. There is one shorter (2.38 Å) and one longer (2.45 Å) Ir(2)-Ga(1) bond length. Cu(1) is bonded in a 2-coordinate geometry to one Ir(1), one Ir(2), and one Ga(1) atom. The Cu(1)-Ga(1) bond length is 1.84 Å. Ga(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), and one Cu(1) atom.