data_NbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   4.17
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2
_chemical_formula_sum   'Nb4 In8'
_cell_volume   250.71
_cell_formula_units_Z   4
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
  Nb  Nb8  1  0.75  0.04  0.77  1.0
  Nb  Nb9  1  0.31  0.13  0.87  1.0
  Nb  Nb10  1  0.81  0.04  0.94  1.0
  Nb  Nb11  1  0.37  0.13  0.04  1.0
  In  In0  1  0.91  0.04  0.63  1.0
  In  In1  1  0.27  0.13  0.54  1.0
  In  In2  1  0.85  0.04  0.27  1.0
  In  In3  1  0.21  0.13  0.18  1.0
  In  In4  1  0.88  0.04  0.19  1.0
  In  In5  1  0.31  0.13  0.28  1.0
  In  In6  1  0.82  0.04  0.53  1.0
  In  In7  1  0.24  0.13  0.62  1.0

data_NbIn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.17
_cell_length_b   6.12
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbIn2
_chemical_formula_sum   'Nb4 In8'
_cell_volume   250.71
_cell_formula_units_Z   4
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
  Nb  Nb0  2  0.46  0.25  0.04  1.0
  Nb  Nb1  2  0.46  0.19  0.87  1.0
  In  In2  2  0.46  0.26  0.62  1.0
  In  In3  2  0.46  0.29  0.37  1.0
  In  In4  2  0.46  0.32  0.28  1.0
  In  In5  2  0.46  0.35  0.73  1.0

Nb Nb Nb Nb In In In In In In In In
NbIn2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NbIn2 cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Nb(2) and one In(1) atom. The Nb(1)-Nb(2) bond length is 1.71 Å. The Nb(1)-In(1) bond length is 1.71 Å. In the second Nb site, Nb(2) is bonded in a distorted linear geometry to one Nb(1) and one In(3) atom. The Nb(2)-In(3) bond length is 2.42 Å. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Nb(1), one In(3), and one In(4) atom. The In(1)-In(3) bond length is 2.06 Å. The In(1)-In(4) bond length is 1.16 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one In(3) atom. The In(2)-In(3) bond length is 0.88 Å. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Nb(2), one In(1), and one In(2) atom. In the fourth In site, In(4) is bonded in a distorted single-bond geometry to one In(1) atom.