The structure described by NbZnAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), one Zn(1), two equivalent Zn(3), four equivalent Zn(2), two equivalent Al(2), and three equivalent Al(1) atoms. In the third Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Nb(2); four Nb(1,1); two equivalent Al(1); and four equivalent Al(2) atoms to form distorted ZnNb6Al6 cuboctahedra that share corners with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with eight equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with two equivalent Zn(1)Nb6Al6 cuboctahedra, edges with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, and faces with eight equivalent Al(2)Nb6Al4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded to two Nb(1,1); four equivalent Nb(2); two equivalent Zn(2); two equivalent Zn(3); and two equivalent Al(1) atoms to form ZnNb6Al2Zn4 cuboctahedra that share corners with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with six equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with two equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with two equivalent Zn(1)Nb6Al6 cuboctahedra, faces with two equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, and faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra. In the third Zn site, Zn(3) is bonded to two Nb(1,1); four equivalent Nb(2); four equivalent Zn(2); and two equivalent Al(1) atoms to form ZnNb6Al2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with eight equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, edges with four equivalent Zn(1)Nb6Al6 cuboctahedra, faces with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, and faces with eight equivalent Zn(2)Nb6Al2Zn4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Nb(1), three equivalent Nb(2), one Zn(1), one Zn(3), two equivalent Zn(2), and two equivalent Al(2) atoms to form distorted AlNb6Al2Zn4 cuboctahedra that share corners with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with two equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Al(1)Nb6Al2Zn4 cuboctahedra, faces with three equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with three equivalent Zn(1)Nb6Al6 cuboctahedra, faces with six equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, and faces with six equivalent Al(2)Nb6Al4Zn2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Nb(2); four Nb(1,1,1); two equivalent Zn(1); two equivalent Al(1); and two equivalent Al(2) atoms to form distorted AlNb6Al4Zn2 cuboctahedra that share corners with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, corners with six equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with two equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(1)Nb6Al6 cuboctahedra, faces with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, and faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_NbAlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.022
_cell_length_b   5.022
_cell_length_c   8.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.679
_symmetry_Int_Tables_number   1
_cell_volume   182.815
_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  Nb0  1  0.335  0.335  0.565  1.0
  Nb  Nb1  1  0.664  0.664  0.441  1.0
  Nb  Nb2  1  0.664  0.664  0.059  1.0
  Nb  Nb3  1  0.335  0.335  0.935  1.0
  Al  Al4  1  0.997  0.997  0.492  1.0
  Al  Al5  1  0.997  0.997  0.008  1.0
  Al  Al6  1  0.833  0.346  0.750  1.0
  Al  Al7  1  0.346  0.833  0.750  1.0
  Zn  Zn8  1  0.833  0.833  0.750  1.0
  Zn  Zn9  1  0.172  0.652  0.250  1.0
  Zn  Zn10  1  0.652  0.172  0.250  1.0
  Zn  Zn11  1  0.172  0.172  0.250  1.0
[/CIF]
.
The structure described by NbZnAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), one Zn(1), two equivalent Zn(3), four equivalent Zn(2), two equivalent Al(2), and three equivalent Al(1) atoms. In the third Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), three equivalent Al(1), and four equivalent Al(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Nb(2); four Nb(1,1); two equivalent Al(1); and four equivalent Al(2) atoms to form distorted ZnNb6Al6 cuboctahedra that share corners with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with eight equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with two equivalent Zn(1)Nb6Al6 cuboctahedra, edges with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, and faces with eight equivalent Al(2)Nb6Al4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded to two Nb(1,1); four equivalent Nb(2); two equivalent Zn(2); two equivalent Zn(3); and two equivalent Al(1) atoms to form ZnNb6Al2Zn4 cuboctahedra that share corners with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with six equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with two equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with two equivalent Zn(1)Nb6Al6 cuboctahedra, faces with two equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, and faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra. In the third Zn site, Zn(3) is bonded to two Nb(1,1); four equivalent Nb(2); four equivalent Zn(2); and two equivalent Al(1) atoms to form ZnNb6Al2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with eight equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, edges with four equivalent Zn(1)Nb6Al6 cuboctahedra, faces with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, and faces with eight equivalent Zn(2)Nb6Al2Zn4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Nb(1), three equivalent Nb(2), one Zn(1), one Zn(3), two equivalent Zn(2), and two equivalent Al(2) atoms to form distorted AlNb6Al2Zn4 cuboctahedra that share corners with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with two equivalent Zn(1)Nb6Al6 cuboctahedra, corners with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Al(1)Nb6Al2Zn4 cuboctahedra, faces with three equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with three equivalent Zn(1)Nb6Al6 cuboctahedra, faces with six equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, and faces with six equivalent Al(2)Nb6Al4Zn2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Nb(2); four Nb(1,1,1); two equivalent Zn(1); two equivalent Al(1); and two equivalent Al(2) atoms to form distorted AlNb6Al4Zn2 cuboctahedra that share corners with four equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(1)Nb6Al2Zn4 cuboctahedra, corners with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, corners with six equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, edges with two equivalent Al(2)Nb6Al4Zn2 cuboctahedra, edges with four equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Zn(2)Nb6Al2Zn4 cuboctahedra, faces with two equivalent Zn(3)Nb6Al2Zn4 cuboctahedra, faces with four equivalent Zn(1)Nb6Al6 cuboctahedra, faces with four equivalent Al(2)Nb6Al4Zn2 cuboctahedra, and faces with six equivalent Al(1)Nb6Al2Zn4 cuboctahedra. is represented by the CIF file [CIF]
data_NbAlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.022
_cell_length_b   5.022
_cell_length_c   8.313
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.679
_symmetry_Int_Tables_number   1
_cell_volume   182.815
_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  Nb0  1  0.335  0.335  0.565  1.0
  Nb  Nb1  1  0.664  0.664  0.441  1.0
  Nb  Nb2  1  0.664  0.664  0.059  1.0
  Nb  Nb3  1  0.335  0.335  0.935  1.0
  Al  Al4  1  0.997  0.997  0.492  1.0
  Al  Al5  1  0.997  0.997  0.008  1.0
  Al  Al6  1  0.833  0.346  0.750  1.0
  Al  Al7  1  0.346  0.833  0.750  1.0
  Zn  Zn8  1  0.833  0.833  0.750  1.0
  Zn  Zn9  1  0.172  0.652  0.250  1.0
  Zn  Zn10  1  0.652  0.172  0.250  1.0
  Zn  Zn11  1  0.172  0.172  0.250  1.0
[/CIF]
.