data_NbAl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.9
_cell_angle_alpha   96.12
_cell_angle_beta   96.12
_cell_angle_gamma   32.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2Ga
_chemical_formula_sum   'Nb1 Al2 Ga1'
_cell_volume   66.87
_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  0.04  0.0  0.66  1.0
  Al  Al0  1  0.12  0.0  0.82  1.0
  Al  Al1  1  0.14  0.0  0.21  1.0
  Ga  Ga2  1  0.65  0.0  0.48  1.0

data_NbAl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.9
_cell_length_c   5.06
_cell_angle_alpha   96.12
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2Ga
_chemical_formula_sum   'Nb1 Al2 Ga1'
_cell_volume   66.87
_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  0.0  0.66  0.04  1.0
  Al  Al1  1  0.0  0.21  0.14  1.0
  Al  Al2  1  0.0  0.82  0.12  1.0
  Ga  Ga3  1  0.0  0.48  0.65  1.0

Nb Al Al Ga
NbGaAl2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 2-coordinate geometry to one Ga(1), one Al(1), and one Al(2) atom. The Nb(1)-Ga(1) bond length is 2.06 Å. The Nb(1)-Al(1) bond length is 0.86 Å. The Nb(1)-Al(2) bond length is 2.32 Å. Ga(1) is bonded in a 1-coordinate geometry to one Nb(1) and two equivalent Al(2) atoms. There is one shorter (2.77 Å) and one longer (2.94 Å) Ga(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.91 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Nb(1), two equivalent Ga(1), one Al(1), and two equivalent Al(2) atoms. Both Al(2)-Al(2) bond lengths are 2.82 Å.