data_NbInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.98
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInGa2
_chemical_formula_sum   'Nb1 In1 Ga2'
_cell_volume   74.31
_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  Nb3  1  0.48  0.0  0.32  1.0
  In  In2  1  0.82  0.49  0.45  1.0
  Ga  Ga0  1  0.86  0.49  0.05  1.0
  Ga  Ga1  1  0.01  0.0  0.98  1.0

data_NbInGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.98
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInGa2
_chemical_formula_sum   'Nb1 In1 Ga2'
_cell_volume   74.31
_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  Nb0  1  0.48  0.0  0.32  1.0
  In  In1  1  0.82  0.49  0.45  1.0
  Ga  Ga2  1  0.01  0.0  0.98  1.0
  Ga  Ga3  1  0.86  0.49  0.05  1.0

Nb In Ga Ga
Nb In Ga Ga 0 3 o o - 0 3 + o - 0 1 o o o 1 2 o o o 2 3 + o - 2 3 + + - 
NbInGa2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent In(1) and two equivalent Ga(2) atoms. There are a spread of Nb(1)-In(1) bond distances ranging from 2.71-3.26 Å. There is one shorter (2.20 Å) and one longer (2.33 Å) Nb(1)-Ga(2) bond length. In(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1), two equivalent In(1), and two equivalent Ga(1) atoms. Both In(1)-In(1) bond lengths are 2.91 Å. There is one shorter (2.08 Å) and one longer (3.05 Å) In(1)-Ga(1) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to two equivalent In(1) atoms. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to two equivalent Nb(1) atoms.