data_La2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbIn
_chemical_formula_sum   'La2 Nb1 In1'
_cell_volume   112.25
_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  La1  1  0.0  0.0  0.81  1.0
  La  La2  1  0.3  0.0  0.98  1.0
  Nb  Nb3  1  0.0  0.0  0.34  1.0
  In  In0  1  0.3  0.0  0.48  1.0

data_La2NbIn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2NbIn
_chemical_formula_sum   'La2 Nb1 In1'
_cell_volume   112.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.81  1.0
  La  La1  1  0.3  0.0  0.98  1.0
  Nb  Nb2  1  0.0  0.0  0.34  1.0
  In  In3  1  0.3  0.0  0.48  1.0

La La Nb In
La La Nb In 0 1 o o o 2 3 o o o 
La2NbIn crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one La2NbIn cluster. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one La(2) and one In(1) atom. The La(1)-La(2) bond length is 2.04 Å. The La(1)-In(1) bond length is 3.47 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one La(1) atom. Nb(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Nb(1)-In(1) bond length is 1.73 Å. In(1) is bonded in a distorted single-bond geometry to one La(1) and one Nb(1) atom.