data_CoP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   6.64
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP3
_chemical_formula_sum   'Co2 P6'
_cell_volume   143.09
_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  0.81  0.0  0.03  1.0
  Co  Co1  1  0.0  0.32  0.92  1.0
  P  P2  1  0.0  0.0  0.75  1.0
  P  P3  1  0.81  0.32  0.2  1.0
  P  P4  1  0.81  0.18  0.19  1.0
  P  P5  1  0.81  0.46  0.19  1.0
  P  P6  1  0.0  0.49  0.76  1.0
  P  P7  1  0.0  0.14  0.76  1.0

data_CoP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.95
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP3
_chemical_formula_sum   'Co2 P6'
_cell_volume   143.09
_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  0.0  0.08  0.68  1.0
  Co  Co1  1  0.19  0.97  0.0  1.0
  P  P2  1  0.0  0.24  0.51  1.0
  P  P3  1  0.0  0.24  0.86  1.0
  P  P4  1  0.0  0.25  0.0  1.0
  P  P5  1  0.19  0.8  0.68  1.0
  P  P6  1  0.19  0.81  0.54  1.0
  P  P7  1  0.19  0.81  0.82  1.0

Co Co P P P P P P
Co Co P P P P P P 0 4 o o o 1 7 o o o 1 6 o o o 2 7 o o o 3 4 o o o 3 5 o o o 