data_Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2B
_chemical_formula_sum   'Co16 B8'
_cell_volume   211.53
_cell_formula_units_Z   8
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  Co8  1  0.18  0.55  0.55  1.0
  Co  Co9  1  0.55  0.18  0.55  1.0
  Co  Co10  1  0.18  0.18  0.18  1.0
  Co  Co11  1  0.55  0.55  0.18  1.0
  Co  Co12  1  0.09  0.09  0.33  1.0
  Co  Co13  1  0.86  0.09  0.09  1.0
  Co  Co14  1  0.09  0.86  0.09  1.0
  Co  Co15  1  0.09  0.33  0.09  1.0
  Co  Co16  1  0.33  0.09  0.09  1.0
  Co  Co17  1  0.09  0.09  0.86  1.0
  Co  Co18  1  0.73  0.73  0.5  1.0
  Co  Co19  1  0.96  0.73  0.73  1.0
  Co  Co20  1  0.73  0.96  0.73  1.0
  Co  Co21  1  0.73  0.5  0.73  1.0
  Co  Co22  1  0.5  0.73  0.73  1.0
  Co  Co23  1  0.73  0.73  0.96  1.0
  B  B0  1  0.17  0.17  0.29  1.0
  B  B1  1  0.29  0.29  0.29  1.0
  B  B2  1  0.17  0.29  0.17  1.0
  B  B3  1  0.29  0.17  0.17  1.0
  B  B4  1  0.65  0.65  0.54  1.0
  B  B5  1  0.54  0.54  0.54  1.0
  B  B6  1  0.65  0.54  0.65  1.0
  B  B7  1  0.54  0.65  0.65  1.0

data_Co2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   16.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co2B
_chemical_formula_sum   'Co48 B24'
_cell_volume   634.58
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.08  0.15  0.19  1.0
  Co  Co1  9  0.08  0.15  0.83  1.0
  Co  Co2  9  0.15  0.08  0.35  1.0
  Co  Co3  9  0.15  0.08  0.98  1.0
  Co  Co4  9  0.21  0.79  0.24  1.0
  Co  Co5  3  0.0  0.0  0.82  1.0
  B  B6  9  0.04  0.08  0.79  1.0
  B  B7  9  0.08  0.04  0.39  1.0
  B  B8  3  0.0  0.0  0.46  1.0
  B  B9  3  0.0  0.0  0.71  1.0

Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co B B B B B B B B
Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co B B B B B B B B 0 11 - o o 1 12 o - o 2 16 o o o 2 19 o o o 2 18 o o o 2 4 o o o 2 7 o o o 2 8 o o o 3 15 o o - 4 16 o o o 5 6 + - o 5 9 + o - 6 9 o + - 7 18 o o o 8 19 o o o 10 20 o o o 11 15 o o o 11 12 o o o 12 15 o o o 13 22 o o o 14 23 o o o 16 19 o o o 16 18 o o o 16 17 o o o 17 19 o o o 17 18 o o o 18 19 o o o 20 22 o o o 20 23 o o o 20 21 o o o 21 23 o o o 21 22 o o o 22 23 o o o 