data_SnBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBIr2
_chemical_formula_sum   'Sn1 B1 Ir2'
_cell_volume   60.2
_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
  Sn  Sn3  1  0.0  0.0  0.76  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.57  0.0  0.41  1.0
  Ir  Ir2  1  0.57  0.0  0.11  1.0

data_SnBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBIr2
_chemical_formula_sum   'Sn1 B1 Ir2'
_cell_volume   60.2
_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
  Sn  Sn0  1  0.0  0.0  0.76  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.57  0.0  0.11  1.0
  Ir  Ir3  1  0.57  0.0  0.41  1.0

Sn B Ir Ir
Ir2BSn crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ir(2), six equivalent Ir(1), and two equivalent Sn(1) atoms. The Ir(1)-Ir(2) bond length is 2.27 Å. There are four shorter (3.00 Å) and two longer (3.13 Å) Ir(1)-Ir(1) bond lengths. There is one shorter (2.93 Å) and one longer (3.13 Å) Ir(1)-Sn(1) bond length. In the second Ir site, Ir(2) is bonded in a distorted bent 120 degrees geometry to one Ir(1) and two equivalent B(1) atoms. There is one shorter (1.54 Å) and one longer (1.88 Å) Ir(2)-B(1) bond length. B(1) is bonded in a distorted trigonal planar geometry to two equivalent Ir(2) and one Sn(1) atom. The B(1)-Sn(1) bond length is 1.81 Å. Sn(1) is bonded in a distorted single-bond geometry to two equivalent Ir(1) and one B(1) atom.