The structure described by Mg14AlB crystallizes in the orthorhombic Amm2 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Al cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(4,4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)Mg11Al cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); two equivalent Al(1); and one B(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); two Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Al cuboctahedra, faces with two equivalent Mg(6)Mg11Al cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); two Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with six Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the sixth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Al(1), and one B(1) atom. In the seventh Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Al(1), and one B(1) atom. In the eighth Mg site, Mg(6) is bonded to one Mg(1); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(7); four Mg(5,5); and one Al(1) atom to form distorted MgMg11Al cuboctahedra that share corners with six equivalent Mg(6)Mg11Al cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with three equivalent Mg(2)Mg12 cuboctahedra. In the ninth Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(6); four Mg(5,5); and one B(1) atom. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6); four equivalent Mg(3); and four Mg(5,5) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3); two equivalent Mg(7); and four Mg(5,5) atoms. is represented by the CIF file [CIF]
data_Mg14AlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.212
_cell_length_c   10.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.155
_symmetry_Int_Tables_number   1
_cell_volume   335.874
_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
  Mg  Mg0  1  0.171  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.675  0.335  0.125  1.0
  Mg  Mg3  1  0.665  0.334  0.625  1.0
  Mg  Mg4  1  0.675  0.840  0.125  1.0
  Mg  Mg5  1  0.665  0.831  0.625  1.0
  Mg  Mg6  1  0.325  0.157  0.358  1.0
  Mg  Mg7  1  0.325  0.157  0.892  1.0
  Mg  Mg8  1  0.325  0.668  0.358  1.0
  Mg  Mg9  1  0.325  0.668  0.892  1.0
  Mg  Mg10  1  0.835  0.168  0.376  1.0
  Mg  Mg11  1  0.835  0.168  0.874  1.0
  Mg  Mg12  1  0.841  0.671  0.366  1.0
  Mg  Mg13  1  0.841  0.671  0.884  1.0
  Al  Al14  1  0.160  0.330  0.125  1.0
  B  B15  1  0.165  0.832  0.125  1.0
[/CIF]
.
The structure described by Mg14AlB crystallizes in the orthorhombic Amm2 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Al cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(4,4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)Mg11Al cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); two equivalent Al(1); and one B(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); two Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Al cuboctahedra, faces with two equivalent Mg(6)Mg11Al cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); two Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with six Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the sixth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Al(1), and one B(1) atom. In the seventh Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Al(1), and one B(1) atom. In the eighth Mg site, Mg(6) is bonded to one Mg(1); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(7); four Mg(5,5); and one Al(1) atom to form distorted MgMg11Al cuboctahedra that share corners with six equivalent Mg(6)Mg11Al cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(6)Mg11Al cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with three equivalent Mg(2)Mg12 cuboctahedra. In the ninth Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(6); four Mg(5,5); and one B(1) atom. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6); four equivalent Mg(3); and four Mg(5,5) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3); two equivalent Mg(7); and four Mg(5,5) atoms. is represented by the CIF file [CIF]
data_Mg14AlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.183
_cell_length_b   6.212
_cell_length_c   10.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.155
_symmetry_Int_Tables_number   1
_cell_volume   335.874
_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
  Mg  Mg0  1  0.171  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.675  0.335  0.125  1.0
  Mg  Mg3  1  0.665  0.334  0.625  1.0
  Mg  Mg4  1  0.675  0.840  0.125  1.0
  Mg  Mg5  1  0.665  0.831  0.625  1.0
  Mg  Mg6  1  0.325  0.157  0.358  1.0
  Mg  Mg7  1  0.325  0.157  0.892  1.0
  Mg  Mg8  1  0.325  0.668  0.358  1.0
  Mg  Mg9  1  0.325  0.668  0.892  1.0
  Mg  Mg10  1  0.835  0.168  0.376  1.0
  Mg  Mg11  1  0.835  0.168  0.874  1.0
  Mg  Mg12  1  0.841  0.671  0.366  1.0
  Mg  Mg13  1  0.841  0.671  0.884  1.0
  Al  Al14  1  0.160  0.330  0.125  1.0
  B  B15  1  0.165  0.832  0.125  1.0
[/CIF]
.