The material described by MgLi2 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), three equivalent Li(2), one Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(3)Li8Mg4 cuboctahedra, edges with four equivalent Mg(1)Li8Mg4 cuboctahedra, edges with six equivalent Mg(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li8Mg4 cuboctahedra, and faces with five equivalent Li(2)Li8Mg4 cuboctahedra. In the second Li site, Li(2) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), three equivalent Li(1), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(1)Li9Mg3 cuboctahedra, edges with three equivalent Mg(1)Li8Mg4 cuboctahedra, edges with three equivalent Mg(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(4)Li7Mg5 cuboctahedra, edges with six equivalent Li(3)Li8Mg4 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(4)Li7Mg5 cuboctahedra, and faces with five equivalent Li(1)Li9Mg3 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), one Mg(2), and three equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Mg(1)Li8Mg4 cuboctahedra, edges with three equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(1)Li9Mg3 cuboctahedra, edges with four equivalent Mg(2)Li8Mg4 cuboctahedra, edges with six equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with four equivalent Mg(2)Li8Mg4 cuboctahedra, and faces with five equivalent Mg(1)Li8Mg4 cuboctahedra. In the fourth Li site, Li(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Mg(1), and three equivalent Mg(2) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Mg(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li8Mg4 cuboctahedra, edges with three equivalent Li(1)Li9Mg3 cuboctahedra, edges with four equivalent Li(2)Li8Mg4 cuboctahedra, edges with six equivalent Mg(1)Li8Mg4 cuboctahedra, faces with two equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, and faces with five equivalent Mg(2)Li8Mg4 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), three equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(3)Li8Mg4 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(4)Li7Mg5 cuboctahedra, faces with two equivalent Mg(1)Li8Mg4 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(1)Li9Mg3 cuboctahedra, and faces with five equivalent Li(3)Li8Mg4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), three equivalent Li(4), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(1)Li8Mg4 cuboctahedra, edges with four equivalent Li(3)Li8Mg4 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with two equivalent Mg(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with four equivalent Li(3)Li8Mg4 cuboctahedra, and faces with five equivalent Li(4)Li7Mg5 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   7.290
_cell_angle_alpha   74.414
_cell_angle_beta   74.414
_cell_angle_gamma   30.576
_symmetry_Int_Tables_number   1
_cell_volume   123.097
_cell_formula_units_Z   2
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  0.999  0.999  0.001  1.0
  Li  Li1  1  0.278  0.278  0.944  1.0
  Li  Li2  1  0.666  0.666  0.668  1.0
  Li  Li3  1  0.333  0.333  0.334  1.0
  Mg  Mg4  1  0.942  0.942  0.615  1.0
  Mg  Mg5  1  0.615  0.615  0.271  1.0
[/CIF]
.
The material described by MgLi2 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), three equivalent Li(2), one Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(3)Li8Mg4 cuboctahedra, edges with four equivalent Mg(1)Li8Mg4 cuboctahedra, edges with six equivalent Mg(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li8Mg4 cuboctahedra, and faces with five equivalent Li(2)Li8Mg4 cuboctahedra. In the second Li site, Li(2) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(3), three equivalent Li(1), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(1)Li9Mg3 cuboctahedra, edges with three equivalent Mg(1)Li8Mg4 cuboctahedra, edges with three equivalent Mg(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(4)Li7Mg5 cuboctahedra, edges with six equivalent Li(3)Li8Mg4 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(4)Li7Mg5 cuboctahedra, and faces with five equivalent Li(1)Li9Mg3 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), one Mg(2), and three equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Mg(1)Li8Mg4 cuboctahedra, edges with three equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(1)Li9Mg3 cuboctahedra, edges with four equivalent Mg(2)Li8Mg4 cuboctahedra, edges with six equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with four equivalent Mg(2)Li8Mg4 cuboctahedra, and faces with five equivalent Mg(1)Li8Mg4 cuboctahedra. In the fourth Li site, Li(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Mg(1), and three equivalent Mg(2) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(4)Li7Mg5 cuboctahedra, corners with six equivalent Li(3)Li8Mg4 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with two equivalent Mg(2)Li8Mg4 cuboctahedra, edges with three equivalent Li(3)Li8Mg4 cuboctahedra, edges with three equivalent Li(1)Li9Mg3 cuboctahedra, edges with four equivalent Li(2)Li8Mg4 cuboctahedra, edges with six equivalent Mg(1)Li8Mg4 cuboctahedra, faces with two equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, and faces with five equivalent Mg(2)Li8Mg4 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), three equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(3)Li8Mg4 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(2)Li8Mg4 cuboctahedra, edges with four equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(4)Li7Mg5 cuboctahedra, faces with two equivalent Mg(1)Li8Mg4 cuboctahedra, faces with three equivalent Li(4)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Mg(2)Li8Mg4 cuboctahedra, faces with four equivalent Li(1)Li9Mg3 cuboctahedra, and faces with five equivalent Li(3)Li8Mg4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), three equivalent Li(4), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li8Mg4 cuboctahedra, corners with six equivalent Mg(2)Li8Mg4 cuboctahedra, edges with two equivalent Li(4)Li7Mg5 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(1)Li8Mg4 cuboctahedra, edges with four equivalent Li(3)Li8Mg4 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with two equivalent Mg(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(2)Li8Mg4 cuboctahedra, faces with three equivalent Li(1)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li8Mg4 cuboctahedra, faces with four equivalent Li(3)Li8Mg4 cuboctahedra, and faces with five equivalent Li(4)Li7Mg5 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   7.290
_cell_angle_alpha   74.414
_cell_angle_beta   74.414
_cell_angle_gamma   30.576
_symmetry_Int_Tables_number   1
_cell_volume   123.097
_cell_formula_units_Z   2
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  0.999  0.999  0.001  1.0
  Li  Li1  1  0.278  0.278  0.944  1.0
  Li  Li2  1  0.666  0.666  0.668  1.0
  Li  Li3  1  0.333  0.333  0.334  1.0
  Mg  Mg4  1  0.942  0.942  0.615  1.0
  Mg  Mg5  1  0.615  0.615  0.271  1.0
[/CIF]
.