data_NaLa2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.57
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Nb
_chemical_formula_sum   'Na1 La2 Nb1'
_cell_volume   125.16
_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  0.0  1.0
  La  La0  1  0.68  0.79  0.28  1.0
  La  La1  1  0.68  0.79  0.12  1.0
  Nb  Nb3  1  0.0  0.0  0.2  1.0

data_NaLa2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.57
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Nb
_chemical_formula_sum   'Na1 La2 Nb1'
_cell_volume   125.16
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.68  0.79  0.12  1.0
  La  La2  1  0.68  0.79  0.28  1.0
  Nb  Nb3  1  0.0  0.0  0.2  1.0

Na La La Nb
Na La La Nb 0 2 - - o 0 3 o o o 1 3 + + o 1 2 o o o 2 3 + + o 
NaLa2Nb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaLa2Nb cluster. Na(1) is bonded in a 2-coordinate geometry to one La(2) and one Nb(1) atom. The Na(1)-La(2) bond length is 1.79 Å. The Na(1)-Nb(1) bond length is 2.05 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Nb(1) atom. The La(1)-Nb(1) bond length is 1.55 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one Na(1) and one Nb(1) atom. The La(2)-Nb(1) bond length is 1.55 Å. Nb(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one La(2) atom.