Yb(CuIn)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YbIn8Cu12 hexagonal bipyramids that share corners with eight equivalent Yb(1)In8Cu12 hexagonal bipyramids, faces with eight equivalent Cu(2)Yb2In6Cu4 cuboctahedra, faces with sixteen equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with two equivalent Yb(1)In8Cu12 hexagonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Yb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with four equivalent Cu(2)Yb2In6Cu4 cuboctahedra, corners with ten equivalent Cu(1)Yb2In6Cu4 cuboctahedra, edges with two equivalent Cu(2)Yb2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Yb2In6Cu4 cuboctahedra, faces with four equivalent Cu(2)Yb2In6Cu4 cuboctahedra, faces with six equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with four equivalent Yb(1)In8Cu12 hexagonal bipyramids. In the second Cu site, Cu(2) is bonded to two equivalent Yb(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with six equivalent Cu(2)Yb2In6Cu4 cuboctahedra, corners with eight equivalent Cu(1)Yb2In6Cu4 cuboctahedra, edges with three equivalent Cu(2)Yb2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Yb2In6Cu4 cuboctahedra,  a faceface with one Cu(2)Yb2In6Cu4 cuboctahedra, faces with eight equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with four equivalent Yb(1)In8Cu12 hexagonal bipyramids. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Yb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the second In site, In(2) is bonded in a 8-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), and one In(2) atom. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms.
Yb(CuIn)6 crystallizes in the orthorhombic Immm space group. Yb(1) is bonded to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YbIn8Cu12 hexagonal bipyramids that share corners with eight equivalent Yb(1)In8Cu12 hexagonal bipyramids, faces with eight equivalent Cu(2)Yb2In6Cu4 cuboctahedra, faces with sixteen equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with two equivalent Yb(1)In8Cu12 hexagonal bipyramids. All Yb(1)-Cu(2) bond lengths are 3.46 Å. All Yb(1)-Cu(1) bond lengths are 3.56 Å. Both Yb(1)-In(1) bond lengths are 3.18 Å. Both Yb(1)-In(2) bond lengths are 3.14 Å. All Yb(1)-In(3) bond lengths are 3.15 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Yb(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with four equivalent Cu(2)Yb2In6Cu4 cuboctahedra, corners with ten equivalent Cu(1)Yb2In6Cu4 cuboctahedra, edges with two equivalent Cu(2)Yb2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Yb2In6Cu4 cuboctahedra, faces with four equivalent Cu(2)Yb2In6Cu4 cuboctahedra, faces with six equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with four equivalent Yb(1)In8Cu12 hexagonal bipyramids. Both Cu(1)-Cu(1) bond lengths are 2.68 Å. Both Cu(1)-Cu(2) bond lengths are 2.70 Å. Both Cu(1)-In(1) bond lengths are 2.82 Å. Both Cu(1)-In(2) bond lengths are 2.81 Å. Both Cu(1)-In(3) bond lengths are 2.77 Å. In the second Cu site, Cu(2) is bonded to two equivalent Yb(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with six equivalent Cu(2)Yb2In6Cu4 cuboctahedra, corners with eight equivalent Cu(1)Yb2In6Cu4 cuboctahedra, edges with three equivalent Cu(2)Yb2In6Cu4 cuboctahedra, edges with four equivalent Cu(1)Yb2In6Cu4 cuboctahedra,  a faceface with one Cu(2)Yb2In6Cu4 cuboctahedra, faces with eight equivalent Cu(1)Yb2In6Cu4 cuboctahedra, and faces with four equivalent Yb(1)In8Cu12 hexagonal bipyramids. Both Cu(2)-In(1) bond lengths are 2.88 Å. Both Cu(2)-In(2) bond lengths are 2.85 Å. Both Cu(2)-In(3) bond lengths are 2.74 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Yb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the second In site, In(2) is bonded in a 8-coordinate geometry to one Yb(1), two equivalent Cu(2), four equivalent Cu(1), and one In(2) atom. The In(2)-In(2) bond length is 3.02 Å. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Cu(2), and four equivalent Cu(1) atoms.