data_CuBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBIr2
_chemical_formula_sum   'Cu1 B1 Ir2'
_cell_volume   48.22
_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  0.36  0.36  0.6  1.0
  B  B0  1  0.0  0.0  0.11  1.0
  Ir  Ir2  1  0.0  0.0  0.44  1.0
  Ir  Ir3  1  0.36  0.36  0.04  1.0

data_CuBIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuBIr2
_chemical_formula_sum   'Cu2 B2 Ir4'
_cell_volume   96.44
_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  0.36  0.0  0.6  1.0
  B  B1  2  0.0  0.0  0.11  1.0
  Ir  Ir2  2  0.0  0.0  0.44  1.0
  Ir  Ir3  2  0.36  0.0  0.04  1.0

Cu B Ir Ir
Ir2CuB crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to three equivalent Cu(1) and one B(1) atom. There is one shorter (1.75 Å) and two longer (2.25 Å) Ir(1)-Cu(1) bond lengths. The Ir(1)-B(1) bond length is 2.13 Å. In the second Ir site, Ir(2) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent B(1) atoms. The Ir(2)-Cu(1) bond length is 2.84 Å. There are a spread of Ir(2)-B(1) bond distances ranging from 1.48-2.50 Å. Cu(1) is bonded in a 1-coordinate geometry to one Ir(2) and three equivalent Ir(1) atoms. B(1) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent Ir(2) atoms.