data_NaLa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   137.57
_cell_angle_beta   134.4
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Pb
_chemical_formula_sum   'Na1 La2 Pb1'
_cell_volume   129.75
_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  Na2  1  0.0  0.0  0.73  1.0
  La  La0  1  0.0  0.0  0.88  1.0
  La  La1  1  0.35  0.0  0.78  1.0
  Pb  Pb3  1  0.0  0.51  0.6  1.0

data_NaLa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.03
_cell_length_c   6.49
_cell_angle_alpha   112.8
_cell_angle_beta   111.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Pb
_chemical_formula_sum   'Na1 La2 Pb1'
_cell_volume   129.75
_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  0.27  0.27  0.27  1.0
  La  La1  1  0.12  0.12  0.12  1.0
  La  La2  1  0.56  0.22  0.56  1.0
  Pb  Pb3  1  0.4  0.91  0.91  1.0

Na La La Pb
Na La La Pb 0 1 o o o 0 2 o o o 0 3 o - o 1 3 o - o 
NaLa2Pb crystallizes in the triclinic P1 space group. Na(1) is bonded in a 2-coordinate geometry to one La(1) and one La(2) atom. The Na(1)-La(1) bond length is 1.00 Å. The Na(1)-La(2) bond length is 2.02 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Pb(1) atoms. There is one shorter (2.18 Å) and one longer (3.12 Å) La(1)-Pb(1) bond length. In the second La site, La(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Pb(1) atoms. There is one shorter (3.46 Å) and one longer (3.63 Å) La(2)-Pb(1) bond length. Pb(1) is bonded in a 1-coordinate geometry to two equivalent La(1) and two equivalent La(2) atoms.