The compound described by Li5Mg crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(5), and four equivalent Li(4) atoms to form LiLi12 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li10Mg2 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(4)Li10Mg2 cuboctahedra, edges with eight equivalent Mg(1)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li12 cuboctahedra, and faces with six equivalent Li(5)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), and four equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li12 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with eight equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with six equivalent Li(4)Li10Mg2 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), four equivalent Li(5), and two equivalent Mg(1) atoms to form LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(1)Li12 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(5)Li10Mg2 cuboctahedra, edges with eight equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(3)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li10Mg2 cuboctahedra, and faces with six equivalent Mg(1)Li10Mg2 cuboctahedra. In the fourth Li site, Li(4) is bonded to two equivalent Li(2), two equivalent Li(4), two equivalent Li(5), four equivalent Li(1), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(1)Li12 cuboctahedra, edges with eight equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Mg4 cuboctahedra. In the fifth Li site, Li(5) is bonded to two equivalent Li(1), two equivalent Li(4), two equivalent Li(5), four equivalent Li(3), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(3)Li10Mg2 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(3)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li10Mg2 cuboctahedra, and faces with six equivalent Li(1)Li12 cuboctahedra. Mg(1) is bonded to two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), four equivalent Li(2), and two equivalent Mg(1) atoms to form MgLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li10Mg2 cuboctahedra, edges with four equivalent Li(2)Li8Mg4 cuboctahedra, edges with eight equivalent Li(1)Li12 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with six equivalent Li(3)Li10Mg2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.088
_cell_length_b   8.088
_cell_length_c   5.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.210
_symmetry_Int_Tables_number   1
_cell_volume   122.498
_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
  Li  Li0  1  0.002  0.998  0.500  1.0
  Li  Li1  1  0.668  0.332  0.500  1.0
  Li  Li2  1  0.333  0.667  0.500  1.0
  Li  Li3  1  0.555  0.445  0.000  1.0
  Li  Li4  1  0.889  0.111  0.000  1.0
  Mg  Mg5  1  0.221  0.779  0.000  1.0
[/CIF]
.
The compound described by Li5Mg crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(5), and four equivalent Li(4) atoms to form LiLi12 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li10Mg2 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(4)Li10Mg2 cuboctahedra, edges with eight equivalent Mg(1)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li12 cuboctahedra, and faces with six equivalent Li(5)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), and four equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li12 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with eight equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with six equivalent Li(4)Li10Mg2 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), four equivalent Li(5), and two equivalent Mg(1) atoms to form LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(3)Li10Mg2 cuboctahedra, corners with six equivalent Li(1)Li12 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(1)Li12 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(5)Li10Mg2 cuboctahedra, edges with eight equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(3)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li10Mg2 cuboctahedra, and faces with six equivalent Mg(1)Li10Mg2 cuboctahedra. In the fourth Li site, Li(4) is bonded to two equivalent Li(2), two equivalent Li(4), two equivalent Li(5), four equivalent Li(1), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(1)Li12 cuboctahedra, edges with eight equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Mg4 cuboctahedra. In the fifth Li site, Li(5) is bonded to two equivalent Li(1), two equivalent Li(4), two equivalent Li(5), four equivalent Li(3), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(3)Li10Mg2 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(3)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li10Mg2 cuboctahedra, and faces with six equivalent Li(1)Li12 cuboctahedra. Mg(1) is bonded to two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), four equivalent Li(2), and two equivalent Mg(1) atoms to form MgLi10Mg2 cuboctahedra that share corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Li(5)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li10Mg2 cuboctahedra, edges with four equivalent Li(2)Li8Mg4 cuboctahedra, edges with eight equivalent Li(1)Li12 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li12 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with six equivalent Li(3)Li10Mg2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.088
_cell_length_b   8.088
_cell_length_c   5.045
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.210
_symmetry_Int_Tables_number   1
_cell_volume   122.498
_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
  Li  Li0  1  0.002  0.998  0.500  1.0
  Li  Li1  1  0.668  0.332  0.500  1.0
  Li  Li2  1  0.333  0.667  0.500  1.0
  Li  Li3  1  0.555  0.445  0.000  1.0
  Li  Li4  1  0.889  0.111  0.000  1.0
  Mg  Mg5  1  0.221  0.779  0.000  1.0
[/CIF]
.