data_Co4B4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4B4P
_chemical_formula_sum   'Co8 B8 P2'
_cell_volume   174.88
_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  Co8  1  0.37  0.85  0.47  1.0
  Co  Co9  1  0.28  0.8  0.47  1.0
  Co  Co10  1  0.13  0.7  0.44  1.0
  Co  Co11  1  0.52  0.95  0.44  1.0
  Co  Co12  1  0.95  0.13  0.5  1.0
  Co  Co13  1  0.7  0.52  0.5  1.0
  Co  Co14  1  0.85  0.28  0.48  1.0
  Co  Co15  1  0.8  0.37  0.48  1.0
  B  B0  1  0.51  0.12  0.49  1.0
  B  B1  1  0.15  0.54  0.49  1.0
  B  B2  1  0.21  0.18  0.52  1.0
  B  B3  1  0.45  0.48  0.52  1.0
  B  B4  1  0.48  0.21  0.43  1.0
  B  B5  1  0.18  0.45  0.43  1.0
  B  B6  1  0.12  0.15  0.46  1.0
  B  B7  1  0.54  0.51  0.46  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.33  0.33  0.97  1.0

data_Co4B4P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4B4P
_chemical_formula_sum   'Co8 B8 P2'
_cell_volume   174.88
_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  0.44  0.13  0.7  1.0
  Co  Co1  1  0.44  0.52  0.95  1.0
  Co  Co2  1  0.47  0.28  0.8  1.0
  Co  Co3  1  0.47  0.37  0.85  1.0
  Co  Co4  1  0.48  0.8  0.37  1.0
  Co  Co5  1  0.48  0.85  0.28  1.0
  Co  Co6  1  0.5  0.7  0.52  1.0
  Co  Co7  1  0.5  0.95  0.13  1.0
  B  B8  1  0.43  0.18  0.45  1.0
  B  B9  1  0.43  0.48  0.21  1.0
  B  B10  1  0.46  0.12  0.15  1.0
  B  B11  1  0.46  0.54  0.51  1.0
  B  B12  1  0.49  0.15  0.54  1.0
  B  B13  1  0.49  0.51  0.12  1.0
  B  B14  1  0.52  0.21  0.18  1.0
  B  B15  1  0.52  0.45  0.48  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.97  0.33  0.33  1.0

Co Co Co Co Co Co Co Co B B B B B B B B P P
Co4B4P crystallizes in the triclinic P1 space group. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to one Co(2) and one Co(4) atom. The Co(1)-Co(2) bond length is 0.70 Å. The Co(1)-Co(4) bond length is 1.21 Å. In the second Co site, Co(2) is bonded in a distorted linear geometry to one Co(1) and one Co(3) atom. The Co(2)-Co(3) bond length is 1.21 Å. In the third Co site, Co(3) is bonded in a distorted bent 120 degrees geometry to one Co(2), one B(2), and one P(1) atom. The Co(3)-B(2) bond length is 1.12 Å. The Co(3)-P(1) bond length is 2.78 Å. In the fourth Co site, Co(4) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one B(1) atom. The Co(4)-B(1) bond length is 1.12 Å. In the fifth Co site, Co(5) is bonded in a distorted single-bond geometry to one Co(7), one B(7), and two equivalent P(1) atoms. The Co(5)-Co(7) bond length is 1.21 Å. The Co(5)-B(7) bond length is 1.12 Å. There is one shorter (2.17 Å) and one longer (2.19 Å) Co(5)-P(1) bond length. In the sixth Co site, Co(6) is bonded in a distorted bent 120 degrees geometry to one Co(8) and one B(8) atom. The Co(6)-Co(8) bond length is 1.21 Å. The Co(6)-B(8) bond length is 1.12 Å. In the seventh Co site, Co(7) is bonded in a distorted linear geometry to one Co(5) and one Co(8) atom. The Co(7)-Co(8) bond length is 0.70 Å. In the eighth Co site, Co(8) is bonded in a distorted linear geometry to one Co(6) and one Co(7) atom. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a bent 150 degrees geometry to one Co(4) and one B(5) atom. The B(1)-B(5) bond length is 0.67 Å. In the second B site, B(2) is bonded in a bent 150 degrees geometry to one Co(3) and one B(6) atom. The B(2)-B(6) bond length is 0.67 Å. In the third B site, B(3) is bonded in a single-bond geometry to one B(7) and one P(2) atom. The B(3)-B(7) bond length is 0.67 Å. The B(3)-P(2) bond length is 2.20 Å. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(8) and one P(2) atom. The B(4)-B(8) bond length is 0.67 Å. The B(4)-P(2) bond length is 2.20 Å. In the fifth B site, B(5) is bonded in a distorted single-bond geometry to one B(1) and one P(2) atom. The B(5)-P(2) bond length is 2.20 Å. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one B(2) and one P(2) atom. The B(6)-P(2) bond length is 2.20 Å. In the seventh B site, B(7) is bonded in a bent 150 degrees geometry to one Co(5), one B(3), and one P(1) atom. The B(7)-P(1) bond length is 2.20 Å. In the eighth B site, B(8) is bonded in a bent 150 degrees geometry to one Co(6) and one B(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Co(3), two equivalent Co(5), and one B(7) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one B(3), one B(4), one B(5), and one B(6) atom.