data_CrCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   3.24
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2B
_chemical_formula_sum   'Cr1 Co2 B1'
_cell_volume   38.08
_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
  Cr  Cr3  1  0.0  0.0  0.36  1.0
  Co  Co1  1  0.24  0.62  0.11  1.0
  Co  Co2  1  0.24  0.62  0.62  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_CrCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   3.24
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2B
_chemical_formula_sum   'Cr1 Co2 B1'
_cell_volume   38.08
_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
  Cr  Cr0  1  0.0  0.0  0.36  1.0
  Co  Co1  1  0.24  0.62  0.11  1.0
  Co  Co2  1  0.24  0.62  0.62  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Cr Co Co B
CrCo2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrCo2B cluster. Cr(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one B(1) atom. The Cr(1)-Co(1) bond length is 1.81 Å. The Cr(1)-Co(2) bond length is 1.81 Å. The Cr(1)-B(1) bond length is 1.72 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Cr(1) and one B(1) atom. The Co(1)-B(1) bond length is 1.47 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Cr(1) atom. B(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Co(1) atom.