data_NaCaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaPb
_chemical_formula_sum   'Na1 Ca1 Pb1'
_cell_volume   92.36
_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
  Na  Na1  1  0.0  0.0  0.55  1.0
  Ca  Ca0  1  1.0  0.1  0.01  1.0
  Pb  Pb2  1  0.68  0.55  0.15  1.0

data_NaCaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaPb
_chemical_formula_sum   'Na1 Ca1 Pb1'
_cell_volume   92.36
_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
  Na  Na0  1  0.55  0.0  0.0  1.0
  Ca  Ca1  1  0.01  1.0  0.1  1.0
  Pb  Pb2  1  0.15  0.68  0.55  1.0

Na Ca Pb
Na Ca Pb 0 1 - o o 0 1 - o + 0 2 - - + 0 2 - - o 1 2 o - o 
NaCaPb crystallizes in the triclinic P1 space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1) and three equivalent Pb(1) atoms. There is one shorter (1.77 Å) and one longer (2.08 Å) Na(1)-Ca(1) bond length. There are a spread of Na(1)-Pb(1) bond distances ranging from 2.62-3.68 Å. Ca(1) is bonded in a 5-coordinate geometry to two equivalent Na(1) and three equivalent Pb(1) atoms. There are a spread of Ca(1)-Pb(1) bond distances ranging from 2.61-3.62 Å. Pb(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Ca(1) atoms.