The material structure described by Er2YAl9 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded to three equivalent Al(6), three equivalent Al(7), and six equivalent Al(4) atoms to form ErAl12 cuboctahedra that share corners with three equivalent Y(1)Al12 cuboctahedra, corners with three equivalent Y(2)Al12 cuboctahedra, corners with six equivalent Er(1)Al12 cuboctahedra, edges with six equivalent Al(6)YEr3Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra, faces with three equivalent Er(3)Al12 cuboctahedra, faces with three equivalent Er(4)Al12 cuboctahedra, faces with three equivalent Al(6)YEr3Al8 cuboctahedra, and faces with three equivalent Al(7)YEr3Al8 cuboctahedra. In the second Er site, Er(2) is bonded to three equivalent Al(1), three equivalent Al(3), and six equivalent Al(5) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(2)Al12 cuboctahedra, corners with six equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with six equivalent Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Er(2)Al12 cuboctahedra,  a faceface with one Er(4)Al12 cuboctahedra, faces with three equivalent Y(1)Al12 cuboctahedra, faces with three equivalent Y(3)Al12 cuboctahedra, and faces with six equivalent Al(5)Y2Er2Al8 cuboctahedra. In the third Er site, Er(3) is bonded to three equivalent Al(2), three equivalent Al(4), and six equivalent Al(6) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(3)Al12 cuboctahedra, corners with six equivalent Al(6)YEr3Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with six equivalent Al(6)YEr3Al8 cuboctahedra,  a faceface with one Er(3)Al12 cuboctahedra,  a faceface with one Er(4)Al12 cuboctahedra, faces with three equivalent Er(1)Al12 cuboctahedra, faces with three equivalent Y(2)Al12 cuboctahedra, and faces with six equivalent Al(6)YEr3Al8 cuboctahedra. In the fourth Er site, Er(4) is bonded to three equivalent Al(1), three equivalent Al(4), and six equivalent Al(7) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(4)Al12 cuboctahedra, corners with six equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with six equivalent Al(6)YEr3Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra,  a faceface with one Er(2)Al12 cuboctahedra,  a faceface with one Er(3)Al12 cuboctahedra, faces with three equivalent Er(1)Al12 cuboctahedra, faces with three equivalent Y(1)Al12 cuboctahedra, and faces with six equivalent Al(7)YEr3Al8 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Al(5), three equivalent Al(7), and six equivalent Al(1) atoms to form YAl12 cuboctahedra that share corners with three equivalent Er(1)Al12 cuboctahedra, corners with three equivalent Y(3)Al12 cuboctahedra, corners with six equivalent Y(1)Al12 cuboctahedra, edges with six equivalent Al(5)Y2Er2Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra, faces with three equivalent Er(2)Al12 cuboctahedra, faces with three equivalent Er(4)Al12 cuboctahedra, faces with three equivalent Al(5)Y2Er2Al8 cuboctahedra, and faces with three equivalent Al(7)YEr3Al8 cuboctahedra. In the second Y site, Y(2) is bonded to six equivalent Al(2) and six equivalent Al(6) atoms to form YAl12 cuboctahedra that share corners with six equivalent Er(1)Al12 cuboctahedra, corners with six equivalent Y(2)Al12 cuboctahedra, edges with twelve equivalent Al(6)YEr3Al8 cuboctahedra, faces with six equivalent Er(3)Al12 cuboctahedra, and faces with six equivalent Al(6)YEr3Al8 cuboctahedra. In the third Y site, Y(3) is bonded to six equivalent Al(3) and six equivalent Al(5) atoms to form YAl12 cuboctahedra that share corners with six equivalent Y(1)Al12 cuboctahedra, corners with six equivalent Y(3)Al12 cuboctahedra, edges with twelve equivalent Al(5)Y2Er2Al8 cuboctahedra, faces with six equivalent Er(2)Al12 cuboctahedra, and faces with six equivalent Al(5)Y2Er2Al8 cuboctahedra. There are seven inequivalent Al sites. In the first Al site, Al(7) is bonded to one Er(1), two equivalent Er(4), one Y(1), two equivalent Al(1), two equivalent Al(4), and four equivalent Al(7) atoms to form distorted AlYEr3Al8 cuboctahedra that share corners with two equivalent Er(2)Al12 cuboctahedra, corners with two equivalent Er(3)Al12 cuboctahedra, corners with four equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with four equivalent Al(6)YEr3Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with two equivalent Er(1)Al12 cuboctahedra, edges with two equivalent Er(4)Al12 cuboctahedra, edges with two equivalent Y(1)Al12 cuboctahedra, edges with four equivalent Al(7)YEr3Al8 cuboctahedra,  a faceface with one Er(1)Al12 cuboctahedra,  a faceface with one Y(1)Al12 cuboctahedra,  a faceface with one Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Al(6)YEr3Al8 cuboctahedra, faces with two equivalent Er(4)Al12 cuboctahedra, and faces with four equivalent Al(7)YEr3Al8 cuboctahedra. In the second Al site, Al(1) is bonded in a 10-coordinate geometry to one Er(2), one Er(4), two equivalent Y(1), two equivalent Al(1), two equivalent Al(5), and two equivalent Al(7) atoms. In the third Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Er(3), two equivalent Y(2), two equivalent Al(2), and four equivalent Al(6) atoms. In the fourth Al site, Al(3) is bonded in a 10-coordinate geometry to two equivalent Er(2), two equivalent Y(3), two equivalent Al(3), and four equivalent Al(5) atoms. In the fifth Al site, Al(4) is bonded in a 10-coordinate geometry to one Er(3), one Er(4), two equivalent Er(1), two equivalent Al(4), two equivalent Al(6), and two equivalent Al(7) atoms. In the sixth Al site, Al(5) is bonded to two equivalent Er(2), one Y(1), one Y(3), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(5) atoms to form distorted AlY2Er2Al8 cuboctahedra that share corners with two equivalent Er(2)Al12 cuboctahedra, corners with two equivalent Er(4)Al12 cuboctahedra, corners with four equivalent Al(7)YEr3Al8 cuboctahedra, corners with ten equivalent Al(5)Y2Er2Al8 cuboctahedra, edges with two equivalent Er(2)Al12 cuboctahedra, edges with two equivalent Y(1)Al12 cuboctahedra, edges with two equivalent Y(3)Al12 cuboctahedra, edges with four equivalent Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Y(1)Al12 cuboctahedra,  a faceface with one Y(3)Al12 cuboctahedra,  a faceface with one Al(7)YEr3Al8 cuboctahedra, faces with two equivalent Er(2)Al12 cuboctahedra, and faces with five equivalent Al(5)Y2Er2Al8 cuboctahedra. In the seventh Al site, Al(6) is bonded to one Er(1), two equivalent Er(3), one Y(2), two equivalent Al(2), two equivalent Al(4), and four equivalent Al(6) atoms to form distorted AlYEr3Al8 cuboctahedra that share corners with two equivalent Er(3)Al12 cuboctahedra, corners with two equivalent Er(4)Al12 cuboctahedra, corners with four equivalent Al(7)YEr3Al8 cuboctahedra, corners with ten equivalent Al(6)YEr3Al8 cuboctahedra, edges with two equivalent Er(1)Al12 cuboctahedra, edges with two equivalent Er(3)Al12 cuboctahedra, edges with two equivalent Y(2)Al12 cuboctahedra, edges with four equivalent Al(6)YEr3Al8 cuboctahedra,  a faceface with one Er(1)Al12 cuboctahedra,  a faceface with one Y(2)Al12 cuboctahedra,  a faceface with one Al(7)YEr3Al8 cuboctahedra, faces with two equivalent Er(3)Al12 cuboctahedra, and faces with five equivalent Al(6)YEr3Al8 cuboctahedra. is represented by the CIF card [CIF]
data_YEr2Al9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.101
_cell_length_b   6.101
_cell_length_c   28.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.530
_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
  Y  Y0  1  0.667  0.333  0.833  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Y  Y2  1  0.667  0.333  0.167  1.0
  Y  Y3  1  0.333  0.667  0.000  1.0
  Er  Er4  1  0.333  0.667  0.667  1.0
  Er  Er5  1  0.333  0.667  0.333  1.0
  Er  Er6  1  0.000  0.000  0.917  1.0
  Er  Er7  1  0.000  0.000  0.583  1.0
  Er  Er8  1  0.000  0.000  0.250  1.0
  Er  Er9  1  0.000  0.000  0.083  1.0
  Er  Er10  1  0.000  0.000  0.750  1.0
  Er  Er11  1  0.000  0.000  0.417  1.0
  Al  Al12  1  0.183  0.817  0.833  1.0
  Al  Al13  1  0.183  0.817  0.500  1.0
  Al  Al14  1  0.183  0.817  0.167  1.0
  Al  Al15  1  0.183  0.366  0.833  1.0
  Al  Al16  1  0.183  0.366  0.500  1.0
  Al  Al17  1  0.183  0.366  0.167  1.0
  Al  Al18  1  0.634  0.817  0.833  1.0
  Al  Al19  1  0.634  0.817  0.500  1.0
  Al  Al20  1  0.634  0.817  0.167  1.0
  Al  Al21  1  0.817  0.183  0.000  1.0
  Al  Al22  1  0.817  0.183  0.667  1.0
  Al  Al23  1  0.817  0.183  0.333  1.0
  Al  Al24  1  0.817  0.634  0.000  1.0
  Al  Al25  1  0.817  0.634  0.667  1.0
  Al  Al26  1  0.817  0.634  0.333  1.0
  Al  Al27  1  0.366  0.183  0.000  1.0
  Al  Al28  1  0.366  0.183  0.667  1.0
  Al  Al29  1  0.366  0.183  0.333  1.0
  Al  Al30  1  1.000  0.500  0.917  1.0
  Al  Al31  1  0.001  0.500  0.584  1.0
  Al  Al32  1  0.001  0.501  0.250  1.0
  Al  Al33  1  0.500  0.500  0.917  1.0
  Al  Al34  1  0.500  0.500  0.584  1.0
  Al  Al35  1  0.499  0.501  0.250  1.0
  Al  Al36  1  0.500  0.000  0.917  1.0
  Al  Al37  1  0.500  0.999  0.584  1.0
  Al  Al38  1  0.499  0.999  0.250  1.0
  Al  Al39  1  0.001  0.501  0.750  1.0
  Al  Al40  1  0.001  0.500  0.416  1.0
  Al  Al41  1  1.000  0.500  0.083  1.0
  Al  Al42  1  0.500  0.500  0.083  1.0
  Al  Al43  1  0.499  0.501  0.750  1.0
  Al  Al44  1  0.500  0.500  0.416  1.0
  Al  Al45  1  0.499  0.999  0.750  1.0
  Al  Al46  1  0.500  0.999  0.416  1.0
  Al  Al47  1  0.500  0.000  0.083  1.0
[/CIF]
.
The material structure described by Er2YAl9 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded to three equivalent Al(6), three equivalent Al(7), and six equivalent Al(4) atoms to form ErAl12 cuboctahedra that share corners with three equivalent Y(1)Al12 cuboctahedra, corners with three equivalent Y(2)Al12 cuboctahedra, corners with six equivalent Er(1)Al12 cuboctahedra, edges with six equivalent Al(6)YEr3Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra, faces with three equivalent Er(3)Al12 cuboctahedra, faces with three equivalent Er(4)Al12 cuboctahedra, faces with three equivalent Al(6)YEr3Al8 cuboctahedra, and faces with three equivalent Al(7)YEr3Al8 cuboctahedra. In the second Er site, Er(2) is bonded to three equivalent Al(1), three equivalent Al(3), and six equivalent Al(5) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(2)Al12 cuboctahedra, corners with six equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with six equivalent Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Er(2)Al12 cuboctahedra,  a faceface with one Er(4)Al12 cuboctahedra, faces with three equivalent Y(1)Al12 cuboctahedra, faces with three equivalent Y(3)Al12 cuboctahedra, and faces with six equivalent Al(5)Y2Er2Al8 cuboctahedra. In the third Er site, Er(3) is bonded to three equivalent Al(2), three equivalent Al(4), and six equivalent Al(6) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(3)Al12 cuboctahedra, corners with six equivalent Al(6)YEr3Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with six equivalent Al(6)YEr3Al8 cuboctahedra,  a faceface with one Er(3)Al12 cuboctahedra,  a faceface with one Er(4)Al12 cuboctahedra, faces with three equivalent Er(1)Al12 cuboctahedra, faces with three equivalent Y(2)Al12 cuboctahedra, and faces with six equivalent Al(6)YEr3Al8 cuboctahedra. In the fourth Er site, Er(4) is bonded to three equivalent Al(1), three equivalent Al(4), and six equivalent Al(7) atoms to form ErAl12 cuboctahedra that share corners with six equivalent Er(4)Al12 cuboctahedra, corners with six equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with six equivalent Al(6)YEr3Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra,  a faceface with one Er(2)Al12 cuboctahedra,  a faceface with one Er(3)Al12 cuboctahedra, faces with three equivalent Er(1)Al12 cuboctahedra, faces with three equivalent Y(1)Al12 cuboctahedra, and faces with six equivalent Al(7)YEr3Al8 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to three equivalent Al(5), three equivalent Al(7), and six equivalent Al(1) atoms to form YAl12 cuboctahedra that share corners with three equivalent Er(1)Al12 cuboctahedra, corners with three equivalent Y(3)Al12 cuboctahedra, corners with six equivalent Y(1)Al12 cuboctahedra, edges with six equivalent Al(5)Y2Er2Al8 cuboctahedra, edges with six equivalent Al(7)YEr3Al8 cuboctahedra, faces with three equivalent Er(2)Al12 cuboctahedra, faces with three equivalent Er(4)Al12 cuboctahedra, faces with three equivalent Al(5)Y2Er2Al8 cuboctahedra, and faces with three equivalent Al(7)YEr3Al8 cuboctahedra. In the second Y site, Y(2) is bonded to six equivalent Al(2) and six equivalent Al(6) atoms to form YAl12 cuboctahedra that share corners with six equivalent Er(1)Al12 cuboctahedra, corners with six equivalent Y(2)Al12 cuboctahedra, edges with twelve equivalent Al(6)YEr3Al8 cuboctahedra, faces with six equivalent Er(3)Al12 cuboctahedra, and faces with six equivalent Al(6)YEr3Al8 cuboctahedra. In the third Y site, Y(3) is bonded to six equivalent Al(3) and six equivalent Al(5) atoms to form YAl12 cuboctahedra that share corners with six equivalent Y(1)Al12 cuboctahedra, corners with six equivalent Y(3)Al12 cuboctahedra, edges with twelve equivalent Al(5)Y2Er2Al8 cuboctahedra, faces with six equivalent Er(2)Al12 cuboctahedra, and faces with six equivalent Al(5)Y2Er2Al8 cuboctahedra. There are seven inequivalent Al sites. In the first Al site, Al(7) is bonded to one Er(1), two equivalent Er(4), one Y(1), two equivalent Al(1), two equivalent Al(4), and four equivalent Al(7) atoms to form distorted AlYEr3Al8 cuboctahedra that share corners with two equivalent Er(2)Al12 cuboctahedra, corners with two equivalent Er(3)Al12 cuboctahedra, corners with four equivalent Al(5)Y2Er2Al8 cuboctahedra, corners with four equivalent Al(6)YEr3Al8 cuboctahedra, corners with six equivalent Al(7)YEr3Al8 cuboctahedra, edges with two equivalent Er(1)Al12 cuboctahedra, edges with two equivalent Er(4)Al12 cuboctahedra, edges with two equivalent Y(1)Al12 cuboctahedra, edges with four equivalent Al(7)YEr3Al8 cuboctahedra,  a faceface with one Er(1)Al12 cuboctahedra,  a faceface with one Y(1)Al12 cuboctahedra,  a faceface with one Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Al(6)YEr3Al8 cuboctahedra, faces with two equivalent Er(4)Al12 cuboctahedra, and faces with four equivalent Al(7)YEr3Al8 cuboctahedra. In the second Al site, Al(1) is bonded in a 10-coordinate geometry to one Er(2), one Er(4), two equivalent Y(1), two equivalent Al(1), two equivalent Al(5), and two equivalent Al(7) atoms. In the third Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Er(3), two equivalent Y(2), two equivalent Al(2), and four equivalent Al(6) atoms. In the fourth Al site, Al(3) is bonded in a 10-coordinate geometry to two equivalent Er(2), two equivalent Y(3), two equivalent Al(3), and four equivalent Al(5) atoms. In the fifth Al site, Al(4) is bonded in a 10-coordinate geometry to one Er(3), one Er(4), two equivalent Er(1), two equivalent Al(4), two equivalent Al(6), and two equivalent Al(7) atoms. In the sixth Al site, Al(5) is bonded to two equivalent Er(2), one Y(1), one Y(3), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(5) atoms to form distorted AlY2Er2Al8 cuboctahedra that share corners with two equivalent Er(2)Al12 cuboctahedra, corners with two equivalent Er(4)Al12 cuboctahedra, corners with four equivalent Al(7)YEr3Al8 cuboctahedra, corners with ten equivalent Al(5)Y2Er2Al8 cuboctahedra, edges with two equivalent Er(2)Al12 cuboctahedra, edges with two equivalent Y(1)Al12 cuboctahedra, edges with two equivalent Y(3)Al12 cuboctahedra, edges with four equivalent Al(5)Y2Er2Al8 cuboctahedra,  a faceface with one Y(1)Al12 cuboctahedra,  a faceface with one Y(3)Al12 cuboctahedra,  a faceface with one Al(7)YEr3Al8 cuboctahedra, faces with two equivalent Er(2)Al12 cuboctahedra, and faces with five equivalent Al(5)Y2Er2Al8 cuboctahedra. In the seventh Al site, Al(6) is bonded to one Er(1), two equivalent Er(3), one Y(2), two equivalent Al(2), two equivalent Al(4), and four equivalent Al(6) atoms to form distorted AlYEr3Al8 cuboctahedra that share corners with two equivalent Er(3)Al12 cuboctahedra, corners with two equivalent Er(4)Al12 cuboctahedra, corners with four equivalent Al(7)YEr3Al8 cuboctahedra, corners with ten equivalent Al(6)YEr3Al8 cuboctahedra, edges with two equivalent Er(1)Al12 cuboctahedra, edges with two equivalent Er(3)Al12 cuboctahedra, edges with two equivalent Y(2)Al12 cuboctahedra, edges with four equivalent Al(6)YEr3Al8 cuboctahedra,  a faceface with one Er(1)Al12 cuboctahedra,  a faceface with one Y(2)Al12 cuboctahedra,  a faceface with one Al(7)YEr3Al8 cuboctahedra, faces with two equivalent Er(3)Al12 cuboctahedra, and faces with five equivalent Al(6)YEr3Al8 cuboctahedra. is represented by the CIF card [CIF]
data_YEr2Al9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.101
_cell_length_b   6.101
_cell_length_c   28.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   924.530
_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
  Y  Y0  1  0.667  0.333  0.833  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Y  Y2  1  0.667  0.333  0.167  1.0
  Y  Y3  1  0.333  0.667  0.000  1.0
  Er  Er4  1  0.333  0.667  0.667  1.0
  Er  Er5  1  0.333  0.667  0.333  1.0
  Er  Er6  1  0.000  0.000  0.917  1.0
  Er  Er7  1  0.000  0.000  0.583  1.0
  Er  Er8  1  0.000  0.000  0.250  1.0
  Er  Er9  1  0.000  0.000  0.083  1.0
  Er  Er10  1  0.000  0.000  0.750  1.0
  Er  Er11  1  0.000  0.000  0.417  1.0
  Al  Al12  1  0.183  0.817  0.833  1.0
  Al  Al13  1  0.183  0.817  0.500  1.0
  Al  Al14  1  0.183  0.817  0.167  1.0
  Al  Al15  1  0.183  0.366  0.833  1.0
  Al  Al16  1  0.183  0.366  0.500  1.0
  Al  Al17  1  0.183  0.366  0.167  1.0
  Al  Al18  1  0.634  0.817  0.833  1.0
  Al  Al19  1  0.634  0.817  0.500  1.0
  Al  Al20  1  0.634  0.817  0.167  1.0
  Al  Al21  1  0.817  0.183  0.000  1.0
  Al  Al22  1  0.817  0.183  0.667  1.0
  Al  Al23  1  0.817  0.183  0.333  1.0
  Al  Al24  1  0.817  0.634  0.000  1.0
  Al  Al25  1  0.817  0.634  0.667  1.0
  Al  Al26  1  0.817  0.634  0.333  1.0
  Al  Al27  1  0.366  0.183  0.000  1.0
  Al  Al28  1  0.366  0.183  0.667  1.0
  Al  Al29  1  0.366  0.183  0.333  1.0
  Al  Al30  1  1.000  0.500  0.917  1.0
  Al  Al31  1  0.001  0.500  0.584  1.0
  Al  Al32  1  0.001  0.501  0.250  1.0
  Al  Al33  1  0.500  0.500  0.917  1.0
  Al  Al34  1  0.500  0.500  0.584  1.0
  Al  Al35  1  0.499  0.501  0.250  1.0
  Al  Al36  1  0.500  0.000  0.917  1.0
  Al  Al37  1  0.500  0.999  0.584  1.0
  Al  Al38  1  0.499  0.999  0.250  1.0
  Al  Al39  1  0.001  0.501  0.750  1.0
  Al  Al40  1  0.001  0.500  0.416  1.0
  Al  Al41  1  1.000  0.500  0.083  1.0
  Al  Al42  1  0.500  0.500  0.083  1.0
  Al  Al43  1  0.499  0.501  0.750  1.0
  Al  Al44  1  0.500  0.500  0.416  1.0
  Al  Al45  1  0.499  0.999  0.750  1.0
  Al  Al46  1  0.500  0.999  0.416  1.0
  Al  Al47  1  0.500  0.000  0.083  1.0
[/CIF]
.