data_Nd(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   6.15
_cell_length_c   5.59
_cell_angle_alpha   74.58
_cell_angle_beta   56.24
_cell_angle_gamma   49.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(BIr)2
_chemical_formula_sum   'Nd2 B4 Ir4'
_cell_volume   152.23
_cell_formula_units_Z   2
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
  Nd  Nd8  1  0.51  0.35  0.67  1.0
  Nd  Nd9  1  0.0  0.0  0.0  1.0
  B  B0  1  0.53  0.37  0.02  1.0
  B  B1  1  0.53  0.75  0.02  1.0
  B  B2  1  0.02  0.02  0.35  1.0
  B  B3  1  0.02  0.4  0.35  1.0
  Ir  Ir4  1  0.02  0.71  0.97  1.0
  Ir  Ir5  1  0.53  0.06  0.41  1.0
  Ir  Ir6  1  0.53  0.06  0.64  1.0
  Ir  Ir7  1  0.02  0.71  0.73  1.0

data_Nd(BIr)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   6.15
_cell_angle_alpha   105.42
_cell_angle_beta   105.42
_cell_angle_gamma   114.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(BIr)2
_chemical_formula_sum   'Nd2 B4 Ir4'
_cell_volume   152.23
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.0  0.0  0.0  1.0
  Nd  Nd1  1  0.35  0.54  0.86  1.0
  B  B2  1  0.02  0.39  0.04  1.0
  B  B3  1  0.37  0.93  0.9  1.0
  B  B4  1  0.4  0.77  0.42  1.0
  B  B5  1  0.75  0.31  0.28  1.0
  Ir  Ir6  1  0.06  0.0  0.59  1.0
  Ir  Ir7  1  0.06  0.23  0.59  1.0
  Ir  Ir8  1  0.71  0.46  0.73  1.0
  Ir  Ir9  1  0.71  0.7  0.73  1.0

Nd Nd B B B B Ir Ir Ir Ir
Nd Nd B B B B Ir Ir Ir Ir 0 8 o o o 0 2 o o + 0 4 + o o 1 6 o - - 1 4 o o o 1 2 - o o 2 7 o o o 2 3 o o o 2 5 o o o 3 4 o + o 3 9 + o - 3 8 o + - 4 9 o - o 4 5 o o o 5 7 o o o 5 6 o o - 6 9 o o o 7 8 o o o 
Nd(IrB)2 crystallizes in the triclinic P1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(3), one B(1), and one B(3) atom. The Nd(1)-Ir(1) bond length is 2.28 Å. The Nd(1)-Ir(3) bond length is 1.76 Å. The Nd(1)-B(1) bond length is 2.09 Å. The Nd(1)-B(3) bond length is 2.38 Å. In the second Nd site, Nd(2) is bonded in a 2-coordinate geometry to one Ir(1), one Ir(2), one B(1), one B(3), and two equivalent B(2) atoms. The Nd(2)-Ir(1) bond length is 1.76 Å. The Nd(2)-Ir(2) bond length is 2.61 Å. The Nd(2)-B(1) bond length is 2.44 Å. The Nd(2)-B(3) bond length is 2.09 Å. There is one shorter (3.12 Å) and one longer (3.47 Å) Nd(2)-B(2) bond length. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to one Nd(1), one Nd(2), one Ir(4), and one B(4) atom. The Ir(1)-Ir(4) bond length is 1.30 Å. The Ir(1)-B(4) bond length is 2.46 Å. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to one Nd(2), one Ir(3), and one B(1) atom. The Ir(2)-Ir(3) bond length is 1.30 Å. The Ir(2)-B(1) bond length is 2.46 Å. In the third Ir site, Ir(3) is bonded in a 1-coordinate geometry to one Nd(1), one Ir(2), and one B(2) atom. The Ir(3)-B(2) bond length is 2.46 Å. In the fourth Ir site, Ir(4) is bonded in a 1-coordinate geometry to one Ir(1) and one B(2) atom. The Ir(4)-B(2) bond length is 2.75 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one Nd(1), one Nd(2), one Ir(2), and one B(2) atom. The B(1)-B(2) bond length is 2.33 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Nd(2), one Ir(3), one Ir(4), one B(1), and one B(3) atom. The B(2)-B(3) bond length is 2.38 Å. In the third B site, B(3) is bonded in a 2-coordinate geometry to one Nd(1), one Nd(2), and one B(2) atom. In the fourth B site, B(4) is bonded in a 1-coordinate geometry to one Ir(1) atom.