Mg14NiGa crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ga cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Ni(1), and two equivalent Ga(1) atoms to form distorted MgMg8Ga2Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, 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(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one Ni(1), and one Ga(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ga(1) atom to form distorted MgMg11Ga cuboctahedra that share corners with six equivalent Mg(7)Mg11Ga cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ga(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Mg10Ga2 cuboctahedra. Ni(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ga(1) atoms to form distorted NiMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, faces with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ga cuboctahedra. Ga(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form distorted GaMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra.
Mg14NiGa crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ga cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.13 Å. Both Mg(1)-Mg(6) bond lengths are 3.12 Å. There are two shorter (3.10 Å) and two longer (3.12 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.19 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.07 Å. There are two shorter (3.08 Å) and two longer (3.13 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Ni(1), and two equivalent Ga(1) atoms to form distorted MgMg8Ga2Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra. There is one shorter (3.11 Å) and one longer (3.14 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 2.97 Å. Both Mg(3)-Mg(6) bond lengths are 2.99 Å. Both Mg(3)-Mg(7) bond lengths are 3.04 Å. There is one shorter (3.05 Å) and one longer (3.17 Å) Mg(3)-Ni(1) bond length. There is one shorter (3.02 Å) and one longer (3.20 Å) Mg(3)-Ga(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, 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(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra. There is one shorter (3.12 Å) and one longer (3.14 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.24 Å. Both Mg(4)-Mg(6) bond lengths are 3.16 Å. Both Mg(4)-Mg(7) bond lengths are 3.09 Å. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one Ni(1), and one Ga(1) atom. There is one shorter (3.07 Å) and one longer (3.16 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Ni(1) bond length is 2.89 Å. The Mg(5)-Ga(1) bond length is 2.93 Å. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Ni(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.13 Å. The Mg(6)-Ni(1) bond length is 2.93 Å. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ga(1) atom to form distorted MgMg11Ga cuboctahedra that share corners with six equivalent Mg(7)Mg11Ga cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ga(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Mg10Ga2 cuboctahedra. The Mg(7)-Ga(1) bond length is 3.01 Å. Ni(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ga(1) atoms to form distorted NiMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, faces with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ga cuboctahedra. Both Ni(1)-Ga(1) bond lengths are 3.13 Å. Ga(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form distorted GaMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ga cuboctahedra, edges with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ga cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Ga2Ni2 cuboctahedra.