data_Na2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbIn
_chemical_formula_sum   'Na2 Nb1 In1'
_cell_volume   93.01
_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  Na1  1  0.7  0.0  0.65  1.0
  Na  Na2  1  0.7  0.0  0.85  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.75  1.0

data_Na2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbIn
_chemical_formula_sum   'Na2 Nb1 In1'
_cell_volume   93.01
_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  0.7  0.0  0.65  1.0
  Na  Na1  1  0.7  0.0  0.85  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.75  1.0

Na Na Nb In
Na Na Nb In 0 3 + o o 1 3 + o o 1 2 + o + 
Na2NbIn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2NbIn cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Na(1)-In(1) bond length is 1.44 Å. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Nb(1) and one In(1) atom. The Na(2)-Nb(1) bond length is 1.97 Å. The Na(2)-In(1) bond length is 1.44 Å. Nb(1) is bonded in a distorted single-bond geometry to one Na(2) atom. In(1) is bonded in a distorted water-like geometry to one Na(1) and one Na(2) atom.