data_BPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   141.87
_cell_angle_beta   141.87
_cell_angle_gamma   55.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPIr2
_chemical_formula_sum   'B1 P1 Ir2'
_cell_volume   50.65
_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
  P  P3  1  0.0  0.67  0.27  1.0
  Ir  Ir1  1  0.67  0.0  0.27  1.0
  Ir  Ir2  1  0.0  0.0  0.54  1.0

data_BPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.11
_cell_angle_alpha   109.06
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPIr2
_chemical_formula_sum   'B1 P1 Ir2'
_cell_volume   50.65
_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
  P  P1  1  0.4  0.67  0.4  1.0
  Ir  Ir2  1  0.46  0.0  0.46  1.0
  Ir  Ir3  1  0.73  0.0  0.4  1.0

B P Ir Ir
B P Ir Ir 0 1 o o o 0 1 o - - 0 1 o - o 0 2 - o - 0 2 - o o 0 2 o o o 0 3 o o - 0 3 o o o 1 3 o + o 2 3 + o o 
Ir2BP crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) and three equivalent B(1) atoms. The Ir(1)-Ir(2) bond length is 1.04 Å. There are a spread of Ir(1)-B(1) bond distances ranging from 2.50-2.89 Å. In the second Ir site, Ir(2) is bonded in a distorted L-shaped geometry to one Ir(1), two equivalent B(1), and one P(1) atom. There is one shorter (2.37 Å) and one longer (2.74 Å) Ir(2)-B(1) bond length. The Ir(2)-P(1) bond length is 1.04 Å. B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(2), three equivalent Ir(1), and two equivalent P(1) atoms. There is one shorter (2.50 Å) and one longer (2.63 Å) B(1)-P(1) bond length. P(1) is bonded in a single-bond geometry to one Ir(2) and two equivalent B(1) atoms.