data_BiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi4 Ir8'
_cell_volume   225.89
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.74  0.58  0.92  1.0
  Bi  Bi1  1  0.0  0.16  0.57  1.0
  Bi  Bi2  1  0.0  0.16  0.77  1.0
  Bi  Bi3  1  0.74  0.58  0.12  1.0
  Ir  Ir4  1  0.0  0.0  0.35  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0
  Ir  Ir6  1  0.36  0.95  0.52  1.0
  Ir  Ir7  1  0.38  0.79  0.17  1.0
  Ir  Ir8  1  0.64  0.95  0.52  1.0
  Ir  Ir9  1  0.0  0.59  0.52  1.0
  Ir  Ir10  1  0.74  0.15  0.17  1.0
  Ir  Ir11  1  0.1  0.79  0.17  1.0

data_BiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi4 Ir8'
_cell_volume   225.89
_cell_formula_units_Z   4
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
  Bi  Bi0  1  -0.0  0.16  0.57  1.0
  Bi  Bi1  1  -0.0  0.16  0.77  1.0
  Bi  Bi2  1  0.74  0.58  0.12  1.0
  Bi  Bi3  1  0.74  0.58  0.92  1.0
  Ir  Ir4  1  -0.0  0.59  0.52  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0
  Ir  Ir6  1  0.0  0.0  0.35  1.0
  Ir  Ir7  1  0.1  0.79  0.17  1.0
  Ir  Ir8  1  0.36  0.95  0.52  1.0
  Ir  Ir9  1  0.38  0.79  0.17  1.0
  Ir  Ir10  1  0.64  0.95  0.52  1.0
  Ir  Ir11  1  0.74  0.15  0.17  1.0

Bi Bi Bi Bi Ir Ir Ir Ir Ir Ir Ir Ir
Ir2Bi crystallizes in the triclinic P1 space group. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 7-coordinate geometry to one Ir(3), one Ir(5), one Ir(6), one Ir(7), one Ir(8), one Bi(2), and one Bi(4) atom. The Ir(1)-Ir(3) bond length is 2.62 Å. The Ir(1)-Ir(5) bond length is 2.40 Å. The Ir(1)-Ir(6) bond length is 2.71 Å. The Ir(1)-Ir(7) bond length is 2.50 Å. The Ir(1)-Ir(8) bond length is 2.11 Å. The Ir(1)-Bi(2) bond length is 2.15 Å. The Ir(1)-Bi(4) bond length is 2.80 Å. In the second Ir site, Ir(2) is bonded in a 5-coordinate geometry to one Ir(7), one Ir(8), one Bi(1), one Bi(3), and one Bi(4) atom. The Ir(2)-Ir(7) bond length is 2.50 Å. The Ir(2)-Ir(8) bond length is 2.11 Å. The Ir(2)-Bi(1) bond length is 2.13 Å. The Ir(2)-Bi(3) bond length is 2.15 Å. The Ir(2)-Bi(4) bond length is 2.27 Å. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Ir(1), one Ir(5), and one Ir(6) atom. The Ir(3)-Ir(5) bond length is 1.50 Å. The Ir(3)-Ir(6) bond length is 1.98 Å. In the fourth Ir site, Ir(4) is bonded in a 3-coordinate geometry to one Ir(7), one Ir(8), and one Bi(4) atom. The Ir(4)-Ir(7) bond length is 1.98 Å. The Ir(4)-Ir(8) bond length is 1.50 Å. The Ir(4)-Bi(4) bond length is 2.80 Å. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to one Ir(1), one Ir(3), and one Bi(2) atom. The Ir(5)-Bi(2) bond length is 1.79 Å. In the sixth Ir site, Ir(6) is bonded in a distorted bent 120 degrees geometry to one Ir(1), one Ir(3), and one Bi(2) atom. The Ir(6)-Bi(2) bond length is 2.38 Å. In the seventh Ir site, Ir(7) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(2), one Ir(4), and one Bi(4) atom. The Ir(7)-Bi(4) bond length is 2.38 Å. In the eighth Ir site, Ir(8) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(2), one Ir(4), and one Bi(4) atom. The Ir(8)-Bi(4) bond length is 1.79 Å. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Ir(2) and one Bi(4) atom. The Bi(1)-Bi(4) bond length is 1.77 Å. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(5), one Ir(6), and one Bi(3) atom. The Bi(2)-Bi(3) bond length is 1.77 Å. In the third Bi site, Bi(3) is bonded in a bent 150 degrees geometry to one Ir(2) and one Bi(2) atom. In the fourth Bi site, Bi(4) is bonded in a 1-coordinate geometry to one Ir(1), one Ir(2), one Ir(4), one Ir(7), one Ir(8), and one Bi(1) atom.