data_La3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Pb
_chemical_formula_sum   'La6 Pb2'
_cell_volume   272.05
_cell_formula_units_Z   2
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
  La  La0  1  0.62  0.0  0.24  1.0
  La  La1  1  0.86  0.0  0.24  1.0
  La  La2  1  0.24  0.62  0.0  1.0
  La  La3  1  0.24  0.86  0.0  1.0
  La  La4  1  0.0  0.24  0.86  1.0
  La  La5  1  0.0  0.24  0.62  1.0
  Pb  Pb6  1  0.24  0.24  0.24  1.0
  Pb  Pb7  1  0.0  0.0  0.0  1.0

data_La3Pb
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   11.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La3Pb
_chemical_formula_sum   'La18 Pb6'
_cell_volume   816.16
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  La  La0  9  0.0  0.38  0.62  1.0
  La  La1  9  0.16  0.46  0.7  1.0
  Pb  Pb2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.24  1.0

La La La La La La Pb Pb
La La La La La La Pb Pb 0 1 o o o 0 6 o o o 1 7 + o o 1 6 + o o 2 3 o o o 2 6 o o o 3 7 o + o 3 6 o + o 4 7 o o + 4 5 o o o 4 6 o o + 5 6 o o o 6 7 o o o 
La3Pb crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted bent 150 degrees geometry to one La(2) and one Pb(1) atom. The La(1)-La(2) bond length is 1.55 Å. The La(1)-Pb(1) bond length is 2.91 Å. In the second La site, La(2) is bonded in a single-bond geometry to one La(1), one Pb(1), and one Pb(2) atom. The La(2)-Pb(1) bond length is 2.91 Å. The La(2)-Pb(2) bond length is 1.80 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms. In the second Pb site, Pb(2) is bonded in a trigonal planar geometry to three equivalent La(2) atoms.