data_BIrPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIrPb4
_chemical_formula_sum   'B1 Ir1 Pb4'
_cell_volume   167.69
_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  0.19  0.19  0.19  1.0
  Pb  Pb2  1  0.29  0.29  0.47  1.0
  Pb  Pb3  1  0.29  0.47  0.29  1.0
  Pb  Pb4  1  0.47  0.29  0.29  1.0
  Pb  Pb5  1  0.47  0.47  0.47  1.0

data_BIrPb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   15.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BIrPb4
_chemical_formula_sum   'B3 Ir3 Pb12'
_cell_volume   503.08
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.81  1.0
  Pb  Pb2  9  0.06  0.12  0.65  1.0
  Pb  Pb3  3  0.0  0.0  0.53  1.0

B Ir Pb Pb Pb Pb
IrBPb4 crystallizes in the trigonal R3m space group. Ir(1) is bonded in a 4-coordinate geometry to one B(1) and three equivalent Pb(1) atoms. The Ir(1)-B(1) bond length is 2.86 Å. All Ir(1)-Pb(1) bond lengths are 2.49 Å. B(1) is bonded in a trigonal pyramidal geometry to one Ir(1) and three equivalent Pb(1) atoms. All B(1)-Pb(1) bond lengths are 2.94 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms. All Pb(2)-Pb(1) bond lengths are 1.93 Å. In the second Pb site, Pb(1) is bonded in a 5-coordinate geometry to one Ir(1), one B(1), one Pb(2), and two equivalent Pb(1) atoms. Both Pb(1)-Pb(1) bond lengths are 1.11 Å.