data_NbInSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInSi2
_chemical_formula_sum   'Nb1 In1 Si2'
_cell_volume   68.88
_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
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.22  0.22  0.0  1.0
  Si  Si2  1  0.0  0.22  0.75  1.0
  Si  Si3  1  0.22  0.0  0.75  1.0

data_NbInSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbInSi2
_chemical_formula_sum   'Nb2 In2 Si4'
_cell_volume   137.75
_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+1/2, y+1/2, z'
  4  '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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.22  0.0  0.0  1.0
  Si  Si2  4  0.11  0.11  0.75  1.0

Nb In Si Si
NbInSi2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbInSi2 clusters. Nb(1) is bonded in a 3-coordinate geometry to one In(1) and two equivalent Si(1) atoms. The Nb(1)-In(1) bond length is 1.37 Å. Both Nb(1)-Si(1) bond lengths are 1.31 Å. In(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Si(1) atoms. Both In(1)-Si(1) bond lengths are 1.31 Å. Si(1) is bonded in a 3-coordinate geometry to one Nb(1), one In(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 1.37 Å.