The crystal structure described by Nb12GaAl3 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(2), four equivalent Nb(4), four equivalent Nb(5), two equivalent Ga(1), and two equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(2), four equivalent Nb(3), four equivalent Nb(5), two equivalent Al(1), and two equivalent Al(2) atoms. In the third Nb site, Nb(3) is bonded in a 14-coordinate geometry to two equivalent Nb(3), four equivalent Nb(2), four equivalent Nb(5), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Nb site, Nb(4) is bonded in a 14-coordinate geometry to two equivalent Nb(4), four equivalent Nb(1), four equivalent Nb(5), two equivalent Ga(1), and two equivalent Al(1) atoms. In the fifth Nb site, Nb(5) is bonded in a 14-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Nb(4), two equivalent Nb(5), one Ga(1), one Al(2), and two equivalent Al(1) atoms. Ga(1) is bonded to four equivalent Nb(1), four equivalent Nb(4), and four equivalent Nb(5) atoms to form GaNb12 cuboctahedra that share edges with two equivalent Al(2)Nb12 cuboctahedra, edges with four equivalent Ga(1)Nb12 cuboctahedra, and faces with eight equivalent Al(1)Nb12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Nb(4), and four equivalent Nb(5) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra, faces with four equivalent Ga(1)Nb12 cuboctahedra, and faces with four equivalent Al(2)Nb12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Nb(2), four equivalent Nb(3), and four equivalent Nb(5) atoms to form AlNb12 cuboctahedra that share edges with two equivalent Ga(1)Nb12 cuboctahedra, edges with four equivalent Al(2)Nb12 cuboctahedra, and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb12Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.203
_cell_length_c   10.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.495
_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  0.500  0.000  0.375  1.0
  Nb  Nb1  1  0.500  0.000  0.874  1.0
  Nb  Nb2  1  0.750  0.500  0.000  1.0
  Nb  Nb3  1  0.749  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.749  0.250  1.0
  Nb  Nb5  1  0.000  0.749  0.750  1.0
  Nb  Nb6  1  0.500  0.000  0.126  1.0
  Nb  Nb7  1  0.500  0.000  0.625  1.0
  Nb  Nb8  1  0.250  0.500  0.000  1.0
  Nb  Nb9  1  0.251  0.500  0.500  1.0
  Nb  Nb10  1  0.000  0.251  0.250  1.0
  Nb  Nb11  1  0.000  0.251  0.750  1.0
  Al  Al12  1  0.500  0.500  0.250  1.0
  Al  Al13  1  0.500  0.500  0.750  1.0
  Al  Al14  1  0.000  0.000  0.000  1.0
  Ga  Ga15  1  0.000  0.000  0.500  1.0
[/CIF]
.
The crystal structure described by Nb12GaAl3 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(2), four equivalent Nb(4), four equivalent Nb(5), two equivalent Ga(1), and two equivalent Al(1) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to one Nb(1), one Nb(2), four equivalent Nb(3), four equivalent Nb(5), two equivalent Al(1), and two equivalent Al(2) atoms. In the third Nb site, Nb(3) is bonded in a 14-coordinate geometry to two equivalent Nb(3), four equivalent Nb(2), four equivalent Nb(5), two equivalent Al(1), and two equivalent Al(2) atoms. In the fourth Nb site, Nb(4) is bonded in a 14-coordinate geometry to two equivalent Nb(4), four equivalent Nb(1), four equivalent Nb(5), two equivalent Ga(1), and two equivalent Al(1) atoms. In the fifth Nb site, Nb(5) is bonded in a 14-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Nb(4), two equivalent Nb(5), one Ga(1), one Al(2), and two equivalent Al(1) atoms. Ga(1) is bonded to four equivalent Nb(1), four equivalent Nb(4), and four equivalent Nb(5) atoms to form GaNb12 cuboctahedra that share edges with two equivalent Al(2)Nb12 cuboctahedra, edges with four equivalent Ga(1)Nb12 cuboctahedra, and faces with eight equivalent Al(1)Nb12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Nb(4), and four equivalent Nb(5) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra, faces with four equivalent Ga(1)Nb12 cuboctahedra, and faces with four equivalent Al(2)Nb12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Nb(2), four equivalent Nb(3), and four equivalent Nb(5) atoms to form AlNb12 cuboctahedra that share edges with two equivalent Ga(1)Nb12 cuboctahedra, edges with four equivalent Al(2)Nb12 cuboctahedra, and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb12Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.203
_cell_length_c   10.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.495
_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  0.500  0.000  0.375  1.0
  Nb  Nb1  1  0.500  0.000  0.874  1.0
  Nb  Nb2  1  0.750  0.500  0.000  1.0
  Nb  Nb3  1  0.749  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.749  0.250  1.0
  Nb  Nb5  1  0.000  0.749  0.750  1.0
  Nb  Nb6  1  0.500  0.000  0.126  1.0
  Nb  Nb7  1  0.500  0.000  0.625  1.0
  Nb  Nb8  1  0.250  0.500  0.000  1.0
  Nb  Nb9  1  0.251  0.500  0.500  1.0
  Nb  Nb10  1  0.000  0.251  0.250  1.0
  Nb  Nb11  1  0.000  0.251  0.750  1.0
  Al  Al12  1  0.500  0.500  0.250  1.0
  Al  Al13  1  0.500  0.500  0.750  1.0
  Al  Al14  1  0.000  0.000  0.000  1.0
  Ga  Ga15  1  0.000  0.000  0.500  1.0
[/CIF]
.