data_InCu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Ir
_chemical_formula_sum   'In1 Cu2 Ir1'
_cell_volume   59.2
_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
  In  In2  1  0.0  0.0  0.08  1.0
  Cu  Cu0  1  0.0  0.0  0.1  1.0
  Cu  Cu1  1  0.55  0.55  0.32  1.0
  Ir  Ir3  1  0.55  0.55  0.79  1.0

data_InCu2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InCu2Ir
_chemical_formula_sum   'In2 Cu4 Ir2'
_cell_volume   118.39
_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
  In  In0  2  0.0  0.0  0.08  1.0
  Cu  Cu1  2  0.0  0.0  0.1  1.0
  Cu  Cu2  2  0.05  0.5  0.32  1.0
  Ir  Ir3  2  0.05  0.5  0.79  1.0

In Cu Cu Ir
In Cu Cu Ir 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 3 o o o 2 3 o o - 3 3 + o o 3 3 o + o 
IrCu2In crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 5-coordinate geometry to one Cu(2) and four equivalent In(1) atoms. The Ir(1)-Cu(2) bond length is 2.91 Å. There are a spread of Ir(1)-In(1) bond distances ranging from 2.69-3.00 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to four equivalent Cu(2) and one In(1) atom. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.39-2.74 Å. The Cu(1)-In(1) bond length is 0.13 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent Cu(1) atoms. In(1) is bonded in a single-bond geometry to four equivalent Ir(1) and one Cu(1) atom.