data_CaPPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPPb
_chemical_formula_sum   'Ca1 P1 Pb1'
_cell_volume   83.37
_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
  Ca  Ca0  1  1.0  0.75  0.16  1.0
  P  P1  1  0.0  0.0  0.73  1.0
  Pb  Pb2  1  0.38  0.37  0.36  1.0

data_CaPPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPPb
_chemical_formula_sum   'Ca1 P1 Pb1'
_cell_volume   83.37
_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
  Ca  Ca0  1  0.16  1.0  0.75  1.0
  P  P1  1  0.73  0.0  0.0  1.0
  Pb  Pb2  1  0.36  0.38  0.37  1.0

Ca P Pb
CaPbP crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to three equivalent Pb(1) and two equivalent P(1) atoms. There are a spread of Ca(1)-Pb(1) bond distances ranging from 2.71-3.20 Å. There is one shorter (2.20 Å) and one longer (2.70 Å) Ca(1)-P(1) bond length. Pb(1) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and one P(1) atom. The Pb(1)-P(1) bond length is 2.39 Å. P(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Pb(1) atom.