data_BIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   2.95
_cell_angle_alpha   105.41
_cell_angle_beta   105.41
_cell_angle_gamma   124.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIrAu2
_chemical_formula_sum   'B1 Ir1 Au2'
_cell_volume   61.58
_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
  B  B2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.59  0.0  0.0  1.0
  Au  Au0  1  0.45  0.46  0.21  1.0
  Au  Au1  1  0.45  0.54  0.21  1.0

data_BIrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.25
_cell_length_c   5.56
_cell_angle_alpha   67.53
_cell_angle_beta   74.59
_cell_angle_gamma   89.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIrAu2
_chemical_formula_sum   'B1 Ir1 Au2'
_cell_volume   61.58
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.59  1.0
  Au  Au2  1  0.25  0.46  0.99  1.0
  Au  Au3  1  0.33  0.54  0.91  1.0

B Ir Au Au
IrAu2B crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 4-coordinate geometry to one Au(1), two equivalent Au(2), and one B(1) atom. The Ir(1)-Au(1) bond length is 3.00 Å. There is one shorter (2.50 Å) and one longer (2.53 Å) Ir(1)-Au(2) bond length. The Ir(1)-B(1) bond length is 2.30 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to one Ir(1), one Au(2), and one B(1) atom. The Au(1)-Au(2) bond length is 0.45 Å. The Au(1)-B(1) bond length is 2.06 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to two equivalent Ir(1) and one Au(1) atom. B(1) is bonded in a 1-coordinate geometry to one Ir(1) and one Au(1) atom.