data_CoP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   137.57
_cell_angle_beta   107.42
_cell_angle_gamma   87.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Pb
_chemical_formula_sum   'Co1 P2 Pb1'
_cell_volume   84.6
_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  0.0  0.0  0.2  1.0
  P  P1  1  0.87  0.0  0.23  1.0
  P  P2  1  0.0  0.0  0.33  1.0
  Pb  Pb3  1  0.87  0.0  0.38  1.0

data_CoP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   72.58
_cell_angle_beta   68.79
_cell_angle_gamma   68.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoP2Pb
_chemical_formula_sum   'Co1 P2 Pb1'
_cell_volume   84.6
_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  0.0  0.0  0.2  1.0
  P  P1  1  0.0  0.0  0.33  1.0
  P  P2  1  0.0  0.13  0.23  1.0
  Pb  Pb3  1  0.0  0.13  0.38  1.0

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