data_LaNb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   126.61
_cell_angle_beta   126.61
_cell_angle_gamma   78.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Pb
_chemical_formula_sum   'La1 Nb2 Pb1'
_cell_volume   93.25
_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
  La  La0  1  0.0  0.0  0.1  1.0
  Nb  Nb1  1  0.0  0.38  0.05  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.38  0.0  0.05  1.0

data_LaNb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.31
_cell_angle_alpha   116.7
_cell_angle_beta   116.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Pb
_chemical_formula_sum   'La1 Nb2 Pb1'
_cell_volume   93.25
_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
  La  La0  1  0.1  0.1  0.1  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.66  0.05  0.66  1.0
  Pb  Pb3  1  0.05  0.66  0.66  1.0

La Nb Nb Pb
LaNb2Pb crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Nb(1) and one Nb(2) atom. The La(1)-Nb(1) bond length is 3.12 Å. The La(1)-Nb(2) bond length is 0.53 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one La(1), one Nb(2), and three equivalent Pb(1) atoms. The Nb(1)-Nb(2) bond length is 1.90 Å. There is one shorter (2.59 Å) and two longer (3.46 Å) Nb(1)-Pb(1) bond lengths. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one La(1), one Nb(1), and one Pb(1) atom. The Nb(2)-Pb(1) bond length is 1.90 Å. Pb(1) is bonded in a 1-coordinate geometry to one Nb(2) and three equivalent Nb(1) atoms.