data_BSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Ir
_chemical_formula_sum   'B1 Sb2 Ir1'
_cell_volume   72.25
_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
  Sb  Sb2  1  0.42  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.42  0.54  1.0
  Ir  Ir1  1  0.42  0.42  0.0  1.0

data_BSb2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb2Ir
_chemical_formula_sum   'B2 Sb4 Ir2'
_cell_volume   144.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.21  0.21  0.54  1.0
  Ir  Ir2  2  0.42  0.0  -0.0  1.0

B Sb Sb Ir
B Sb Sb Ir 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 0 0 o o + 0 3 o o o 1 2 o o o 1 3 o o o 1 3 o o + 1 1 o o + 2 3 o o o 2 3 o o + 2 2 o o + 3 3 o o + 
IrBSb2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 4-coordinate geometry to one B(1) and eight equivalent Sb(1) atoms. The Ir(1)-B(1) bond length is 2.87 Å. There are a spread of Ir(1)-Sb(1) bond distances ranging from 2.47-3.27 Å. B(1) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent Sb(1) atoms. There are two shorter (2.47 Å) and two longer (2.63 Å) B(1)-Sb(1) bond lengths. Sb(1) is bonded in a 6-coordinate geometry to four equivalent Ir(1) and two equivalent B(1) atoms.