data_Co13B2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co13B2P3
_chemical_formula_sum   'Co13 B2 P3'
_cell_volume   209.71
_cell_formula_units_Z   1
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  0.28  0.16  0.54  1.0
  Co  Co3  1  0.28  0.84  0.54  1.0
  Co  Co4  1  0.57  0.0  0.54  1.0
  Co  Co5  1  0.57  0.59  0.52  1.0
  Co  Co6  1  0.57  0.41  0.52  1.0
  Co  Co7  1  0.57  0.41  0.57  1.0
  Co  Co8  1  0.57  0.59  0.57  1.0
  Co  Co9  1  0.28  0.16  0.22  1.0
  Co  Co10  1  0.28  0.84  0.22  1.0
  Co  Co11  1  0.57  0.0  0.89  1.0
  Co  Co12  1  0.28  0.84  0.86  1.0
  Co  Co13  1  0.28  0.16  0.86  1.0
  Co  Co14  1  0.57  0.0  0.19  1.0
  B  B0  1  0.57  0.84  0.0  1.0
  B  B1  1  0.57  0.16  0.0  1.0
  P  P15  1  0.0  0.0  0.0  1.0
  P  P16  1  0.0  0.0  0.21  1.0
  P  P17  1  0.0  0.0  0.87  1.0

data_Co13B2P3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co13B2P3
_chemical_formula_sum   'Co13 B2 P3'
_cell_volume   209.71
_cell_formula_units_Z   1
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  0.28  0.84  0.22  1.0
  Co  Co1  1  0.28  0.84  0.54  1.0
  Co  Co2  1  0.28  0.84  0.86  1.0
  Co  Co3  1  0.28  0.16  0.22  1.0
  Co  Co4  1  0.28  0.16  0.54  1.0
  Co  Co5  1  0.28  0.16  0.86  1.0
  Co  Co6  1  0.57  0.0  0.19  1.0
  Co  Co7  1  0.57  0.0  0.54  1.0
  Co  Co8  1  0.57  0.0  0.89  1.0
  Co  Co9  1  0.57  0.41  0.52  1.0
  Co  Co10  1  0.57  0.41  0.57  1.0
  Co  Co11  1  0.57  0.59  0.52  1.0
  Co  Co12  1  0.57  0.59  0.57  1.0
  B  B13  1  0.57  0.16  0.0  1.0
  B  B14  1  0.57  0.84  0.0  1.0
  P  P15  1  0.0  0.0  0.0  1.0
  P  P16  1  0.0  0.0  0.21  1.0
  P  P17  1  0.0  0.0  0.87  1.0

Co Co Co Co Co Co Co Co Co Co Co Co Co B B P P P
Co Co Co Co Co Co Co Co Co Co Co Co Co B B P P P 0 2 o o o 0 1 o - o 0 4 o o o 0 5 o o o 1 2 o + o 3 6 o o o 4 5 o o o 7 16 o o o 7 8 o - o 8 12 o + o 9 10 o - o 9 14 o o + 9 13 o - + 10 11 o + o 11 17 o o o 13 14 o + o 15 17 o o - 