data_CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   146.87
_cell_angle_beta   134.49
_cell_angle_gamma   57.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP
_chemical_formula_sum   'Co2 P2'
_cell_volume   47.17
_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  0.41  0.96  0.85  1.0
  Co  Co1  1  0.0  0.96  0.5  1.0
  P  P2  1  0.0  0.88  0.96  1.0
  P  P3  1  0.41  0.04  0.39  1.0

data_CoP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   3.84
_cell_length_c   4.96
_cell_angle_alpha   112.76
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoP
_chemical_formula_sum   'Co2 P2'
_cell_volume   47.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.32  0.53  1.0
  P  P1  2  0.08  0.87  0.08  1.0

Co Co P P
Co Co P P 0 1 o o o 2 3 o + + 