data_CoPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.53
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPPb2
_chemical_formula_sum   'Co1 P1 Pb2'
_cell_volume   83.36
_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  0.76  0.0  0.5  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.55  0.77  0.87  1.0
  Pb  Pb3  1  0.34  0.77  0.14  1.0

data_CoPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.53
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPPb2
_chemical_formula_sum   'Co1 P1 Pb2'
_cell_volume   83.36
_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  0.76  0.0  0.5  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.34  0.77  0.14  1.0
  Pb  Pb3  1  0.55  0.77  0.87  1.0

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