data_CoB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.28
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   93.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Ir
_chemical_formula_sum   'Co1 B2 Ir1'
_cell_volume   40.51
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.86  0.64  0.53  1.0
  B  B1  1  0.6  0.64  0.94  1.0
  Ir  Ir3  1  0.23  0.0  0.24  1.0

data_CoB2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.28
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   93.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Ir
_chemical_formula_sum   'Co1 B2 Ir1'
_cell_volume   40.51
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.6  0.64  0.94  1.0
  B  B2  1  0.86  0.64  0.53  1.0
  Ir  Ir3  1  0.23  0.0  0.24  1.0

Co B B Ir
Co B B Ir 0 3 o o o 0 1 - - - 0 2 o - - 0 2 - - - 1 3 o + o 1 3 + + o 1 2 o o o 
IrCoB2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a distorted single-bond geometry to one Co(1) and three equivalent B(1) atoms. The Ir(1)-Co(1) bond length is 1.20 Å. There are a spread of Ir(1)-B(1) bond distances ranging from 2.09-2.71 Å. Co(1) is bonded in a 2-coordinate geometry to one Ir(1), one B(1), and one B(2) atom. The Co(1)-B(1) bond length is 2.42 Å. The Co(1)-B(2) bond length is 1.63 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to three equivalent Ir(1), one Co(1), and one B(2) atom. The B(1)-B(2) bond length is 2.02 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one Co(1) and one B(1) atom.