data_Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   105.42
_cell_angle_beta   105.42
_cell_angle_gamma   117.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2B
_chemical_formula_sum   'Co4 B2'
_cell_volume   52.25
_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  0.32  0.83  0.0  1.0
  Co  Co3  1  0.17  0.65  0.12  1.0
  Co  Co4  1  0.83  0.65  0.0  1.0
  Co  Co5  1  0.65  0.83  0.12  1.0
  B  B0  1  0.0  0.0  0.17  1.0
  B  B1  1  0.0  0.0  0.06  1.0

data_Co2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   105.42
_cell_angle_beta   105.42
_cell_angle_gamma   117.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2B
_chemical_formula_sum   'Co4 B2'
_cell_volume   52.25
_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  0.17  0.65  0.12  1.0
  Co  Co1  1  0.32  0.83  0.0  1.0
  Co  Co2  1  0.65  0.83  0.12  1.0
  Co  Co3  1  0.83  0.65  0.0  1.0
  B  B4  1  0.0  0.0  0.06  1.0
  B  B5  1  0.0  0.0  0.17  1.0

Co Co Co Co B B