data_AlCoB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoB2
_chemical_formula_sum   'Al1 Co1 B2'
_cell_volume   35.09
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.22  0.0  0.0  1.0
  B  B1  1  0.11  0.53  0.29  1.0
  B  B2  1  0.11  0.47  0.29  1.0

data_AlCoB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.78
_cell_length_c   3.78
_cell_angle_alpha   107.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoB2
_chemical_formula_sum   'Al1 Co1 B2'
_cell_volume   35.09
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.22  0.0  1.0
  B  B2  1  0.29  0.11  0.53  1.0
  B  B3  1  0.29  0.11  0.47  1.0

Al Co B B
Al Co B B 0 1 o o o 2 3 o o o 
CoAl(B2) crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CoAl(B2) cluster. Co(1) is bonded in a single-bond geometry to one Al(1) atom. The Co(1)-Al(1) bond length is 0.84 Å. Al(1) is bonded in a single-bond geometry to one Co(1) and one B(2) atom. The Al(1)-B(2) bond length is 1.86 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2) atom. The B(1)-B(2) bond length is 0.22 Å. In the second B site, B(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one B(1) atom.