data_CoB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.27
_cell_angle_alpha   115.98
_cell_angle_beta   115.98
_cell_angle_gamma   38.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2
_chemical_formula_sum   'Co2 B4'
_cell_volume   45.16
_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  Co4  1  0.79  0.0  0.26  1.0
  Co  Co5  1  0.54  0.0  0.52  1.0
  B  B0  1  0.15  0.0  0.54  1.0
  B  B1  1  0.9  0.0  0.35  1.0
  B  B2  1  0.15  0.0  0.24  1.0
  B  B3  1  0.23  0.0  0.82  1.0

data_CoB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.27
_cell_length_c   4.4
_cell_angle_alpha   115.98
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2
_chemical_formula_sum   'Co2 B4'
_cell_volume   45.16
_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  Co0  1  0.0  0.26  0.79  1.0
  Co  Co1  1  0.0  0.52  0.54  1.0
  B  B2  1  0.0  0.24  0.15  1.0
  B  B3  1  0.0  0.35  0.9  1.0
  B  B4  1  0.0  0.54  0.15  1.0
  B  B5  1  0.0  0.82  0.23  1.0

Co Co B B B B