data_CoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2
_chemical_formula_sum   'Co8 P16'
_cell_volume   325.22
_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  Co0  1  0.87  0.87  0.05  1.0
  Co  Co1  1  0.05  0.05  0.05  1.0
  Co  Co2  1  0.87  0.05  0.87  1.0
  Co  Co3  1  0.05  0.87  0.87  1.0
  Co  Co4  1  0.78  0.78  0.6  1.0
  Co  Co5  1  0.6  0.6  0.6  1.0
  Co  Co6  1  0.78  0.6  0.78  1.0
  Co  Co7  1  0.6  0.78  0.78  1.0
  P  P8  1  0.36  0.09  0.09  1.0
  P  P9  1  0.09  0.36  0.09  1.0
  P  P10  1  0.36  0.36  0.36  1.0
  P  P11  1  0.09  0.09  0.36  1.0
  P  P12  1  0.19  0.19  0.72  1.0
  P  P13  1  0.65  0.19  0.19  1.0
  P  P14  1  0.19  0.65  0.19  1.0
  P  P15  1  0.19  0.72  0.19  1.0
  P  P16  1  0.72  0.19  0.19  1.0
  P  P17  1  0.19  0.19  0.65  1.0
  P  P18  1  0.46  0.46  0.92  1.0
  P  P19  1  0.99  0.46  0.46  1.0
  P  P20  1  0.46  0.99  0.46  1.0
  P  P21  1  0.46  0.92  0.46  1.0
  P  P22  1  0.92  0.46  0.46  1.0
  P  P23  1  0.46  0.46  0.99  1.0

data_CoP2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   18.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoP2
_chemical_formula_sum   'Co24 P48'
_cell_volume   975.65
_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  0.06  0.12  0.07  1.0
  Co  Co1  9  0.12  0.06  0.28  1.0
  Co  Co2  3  0.0  0.0  0.4  1.0
  Co  Co3  3  0.0  0.0  0.95  1.0
  P  P4  9  0.02  0.51  0.32  1.0
  P  P5  9  0.02  0.51  0.05  1.0
  P  P6  9  0.09  0.18  0.82  1.0
  P  P7  9  0.18  0.36  0.63  1.0
  P  P8  9  0.18  0.82  0.36  1.0
  P  P9  3  0.0  0.0  0.64  1.0

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