data_CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   2.56
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB
_chemical_formula_sum   'Co2 B2'
_cell_volume   30.84
_cell_formula_units_Z   2
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  0.53  0.28  0.87  1.0
  Co  Co3  1  0.84  0.28  0.71  1.0
  B  B0  1  0.53  0.0  0.49  1.0
  B  B1  1  0.84  0.0  0.09  1.0

data_CoB
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.37
_cell_length_b   2.56
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CoB
_chemical_formula_sum   'Co2 B2'
_cell_volume   30.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.28  0.58  1.0
  B  B1  2  0.34  0.0  0.2  1.0

Co Co B B
Co Co B B 0 1 o o o 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o o 