data_LaNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2In
_chemical_formula_sum   'La1 Nb2 In1'
_cell_volume   88.48
_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  0.79  1.0
  Nb  Nb2  1  1.0  0.0  0.42  1.0
  Nb  Nb3  1  1.0  0.0  0.15  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_LaNb2In
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   4.63
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   LaNb2In
_chemical_formula_sum   'La2 Nb4 In2'
_cell_volume   176.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.21  1.0
  Nb  Nb1  2  0.0  0.0  0.58  1.0
  Nb  Nb2  2  0.0  0.0  0.85  1.0
  In  In3  2  0.0  0.0  0.0  1.0

La Nb Nb In
LaNb2In crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to one Nb(1) and one In(1) atom. The La(1)-Nb(1) bond length is 3.46 Å. The La(1)-In(1) bond length is 2.06 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one La(1), one Nb(2), and four equivalent Nb(1) atoms to form a mixture of corner and edge-sharing NbLaNb5 octahedra. The corner-sharing octahedra are not tilted. The Nb(1)-Nb(2) bond length is 2.65 Å. All Nb(1)-Nb(1) bond lengths are 3.06 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Nb(1) and one In(1) atom. The Nb(2)-In(1) bond length is 1.40 Å. In(1) is bonded in a linear geometry to one La(1) and one Nb(2) atom.