The crystal structure described by Cu3Sn is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two Cu(6,6); two equivalent Cu(7); four equivalent Cu(10); two equivalent Sn(1); and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(4)Cu12 cuboctahedra; corners with four Cu(6,6)Cu8Sn4 cuboctahedra; corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with four equivalent Sn(5)Cu12 cuboctahedra;  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra;  an edgeedge with one Sn(1)Cu12 cuboctahedra; edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(4)Cu8Sn4 cuboctahedra; edges with six Cu(6,6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra; faces with two Cu(6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra; faces with two equivalent Sn(1)Cu12 cuboctahedra; faces with two equivalent Sn(2)Cu12 cuboctahedra; faces with two equivalent Sn(5)Cu12 cuboctahedra; faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra; and faces with four equivalent Cu(5)Cu8Sn4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Cu(7), two equivalent Cu(8), four equivalent Cu(9), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(4)Cu12 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with five equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with two equivalent Sn(3)Cu12 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(4)Cu8Sn4 cuboctahedra, and faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra. In the third Cu site, Cu(3) is bonded to two equivalent Cu(9), six equivalent Cu(8), and four equivalent Sn(3) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(3)Cu12 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra, edges with five equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Sn(3)Cu12 cuboctahedra, faces with six equivalent Cu(3)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to two equivalent Cu(10), two equivalent Cu(9), four equivalent Cu(7), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(2)Cu12 cuboctahedra,  an edgeedge with one Cu(3)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Sn4 cuboctahedra, and faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra. In the fifth Cu site, Cu(5) is bonded to two equivalent Cu(10), six equivalent Cu(6), two equivalent Sn(1), and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(1)Cu12 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Sn(1)Cu12 cuboctahedra, edges with six equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(1)Cu12 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with four equivalent Cu(5)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(6)Cu8Sn4 cuboctahedra. In the sixth Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with six Cu(6,6)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra; edges with three equivalent Sn(1)Cu12 cuboctahedra; edges with three equivalent Sn(5)Cu12 cuboctahedra; edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra;  a faceface with one Cu(1)Cu8Sn4 cuboctahedra;  a faceface with one Sn(5)Cu12 cuboctahedra; faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra; faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with three equivalent Sn(1)Cu12 cuboctahedra; and faces with ten Cu(6,6,6)Cu8Sn4 cuboctahedra. In the seventh Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with six equivalent Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra, edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(1)Cu12 cuboctahedra, edges with three equivalent Sn(5)Cu12 cuboctahedra, edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra,  a faceface with one Cu(1)Cu8Sn4 cuboctahedra,  a faceface with one Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra, faces with three equivalent Sn(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(6)Cu8Sn4 cuboctahedra. In the eighth Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with six Cu(6,6)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra; edges with three equivalent Sn(1)Cu12 cuboctahedra; edges with three equivalent Sn(5)Cu12 cuboctahedra; edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra;  a faceface with one Cu(1)Cu8Sn4 cuboctahedra;  a faceface with one Sn(5)Cu12 cuboctahedra; faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra; faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with three equivalent Sn(1)Cu12 cuboctahedra; and faces with ten Cu(6,6,6)Cu8Sn4 cuboctahedra. In the ninth Cu site, Cu(7) is bonded to one Cu(1), one Cu(2), two equivalent Cu(10), two equivalent Cu(4), two equivalent Cu(7), one Sn(4), one Sn(5), and two equivalent Sn(2) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with six equivalent Cu(7)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(4)Cu12 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(4)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(1)Cu12 cuboctahedra, edges with two equivalent Sn(2)Cu12 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  a faceface with one Cu(1)Cu8Sn4 cuboctahedra,  a faceface with one Cu(2)Cu8Sn4 cuboctahedra,  a faceface with one Sn(4)Cu12 cuboctahedra,  a faceface with one Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(10)Cu8Sn4 cuboctahedra. In the tenth Cu site, Cu(8) is bonded to one Cu(2), two equivalent Cu(8), two equivalent Cu(9), three equivalent Cu(3), one Sn(4), and three equivalent Sn(3) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with six equivalent Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(4)Cu12 cuboctahedra, edges with two equivalent Cu(4)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(2)Cu12 cuboctahedra, edges with three equivalent Cu(3)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(3)Cu12 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra,  a faceface with one Cu(2)Cu8Sn4 cuboctahedra,  a faceface with one Sn(4)Cu12 cuboctahedra, faces with three equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with three equivalent Sn(3)Cu12 cuboctahedra, faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(9)Cu8Sn4 cuboctahedra. In the eleventh Cu site, Cu(9) is bonded to one Cu(3), one Cu(4), two equivalent Cu(2), two equivalent Cu(8), two equivalent Cu(9), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with six equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(10)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(4)Cu12 cuboctahedra, edges with three equivalent Cu(3)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(3)Cu12 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra,  a faceface with one Cu(3)Cu8Sn4 cuboctahedra,  a faceface with one Cu(4)Cu8Sn4 cuboctahedra,  a faceface with one Sn(2)Cu12 cuboctahedra,  a faceface with one Sn(3)Cu12 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra. In the twelfth Cu site, Cu(10) is bonded to one Cu(4), one Cu(5), two equivalent Cu(1), two equivalent Cu(10), two equivalent Cu(7), one Sn(1), one Sn(2), and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with six equivalent Cu(10)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(1)Cu12 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(4)Cu12 cuboctahedra, edges with two equivalent Sn(5)Cu12 cuboctahedra, edges with five equivalent Cu(6)Cu8Sn4 cuboctahedra,  a faceface with one Cu(4)Cu8Sn4 cuboctahedra,  a faceface with one Cu(5)Cu8Sn4 cuboctahedra,  a faceface with one Sn(1)Cu12 cuboctahedra,  a faceface with one Sn(2)Cu12 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(7)Cu8Sn4 cuboctahedra. There are five inequivalent Sn sites. In the first Sn site, Sn(3) is bonded to two equivalent Cu(9), four equivalent Cu(3), and six equivalent Cu(8) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with four equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with five equivalent Sn(4)Cu12 cuboctahedra, edges with six equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with four equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra, and faces with six equivalent Sn(3)Cu12 cuboctahedra. In the second Sn site, Sn(4) is bonded to two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(7), two equivalent Cu(8), and four equivalent Cu(9) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with four equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with five equivalent Sn(3)Cu12 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra, and faces with four equivalent Sn(2)Cu12 cuboctahedra. In the third Sn site, Sn(5) is bonded to two equivalent Cu(1); two equivalent Cu(5); two Cu(6,6); two equivalent Cu(7); and four equivalent Cu(10) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with four equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with four Cu(6,6)Cu8Sn4 cuboctahedra; corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra;  an edgeedge with one Sn(4)Cu12 cuboctahedra; edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra; edges with four equivalent Sn(2)Cu12 cuboctahedra; edges with six Cu(6,6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with two Cu(6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra; faces with two equivalent Sn(5)Cu12 cuboctahedra; faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra; and faces with four equivalent Sn(1)Cu12 cuboctahedra. In the fourth Sn site, Sn(1) is bonded to two equivalent Cu(1), two equivalent Cu(10), two equivalent Cu(5), and six equivalent Cu(6) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(5)Cu8Sn4 cuboctahedra, faces with four equivalent Sn(1)Cu12 cuboctahedra, faces with four equivalent Sn(5)Cu12 cuboctahedra, and faces with six equivalent Cu(6)Cu8Sn4 cuboctahedra. In the fifth Sn site, Sn(2) is bonded to two equivalent Cu(10), two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(9), and four equivalent Cu(7) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(1)Cu12 cuboctahedra,  an edgeedge with one Sn(3)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra, and faces with four equivalent Sn(4)Cu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.068
_cell_length_b   24.068
_cell_length_c   4.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   166.545
_symmetry_Int_Tables_number   1
_cell_volume   584.024
_cell_formula_units_Z   10
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
  Cu  Cu0  1  0.930  0.070  0.250  1.0
  Cu  Cu1  1  0.070  0.930  0.750  1.0
  Cu  Cu2  1  0.830  0.170  0.250  1.0
  Cu  Cu3  1  0.170  0.830  0.750  1.0
  Cu  Cu4  1  0.729  0.271  0.250  1.0
  Cu  Cu5  1  0.271  0.729  0.750  1.0
  Cu  Cu6  1  0.629  0.371  0.250  1.0
  Cu  Cu7  1  0.371  0.629  0.750  1.0
  Cu  Cu8  1  0.530  0.470  0.250  1.0
  Cu  Cu9  1  0.470  0.530  0.750  1.0
  Cu  Cu10  1  0.722  0.753  0.250  1.0
  Cu  Cu11  1  0.753  0.722  0.750  1.0
  Cu  Cu12  1  0.278  0.247  0.750  1.0
  Cu  Cu13  1  0.247  0.278  0.250  1.0
  Cu  Cu14  1  0.633  0.864  0.250  1.0
  Cu  Cu15  1  0.864  0.633  0.750  1.0
  Cu  Cu16  1  0.367  0.136  0.750  1.0
  Cu  Cu17  1  0.136  0.367  0.250  1.0
  Cu  Cu18  1  0.531  0.962  0.250  1.0
  Cu  Cu19  1  0.962  0.531  0.750  1.0
  Cu  Cu20  1  0.469  0.038  0.750  1.0
  Cu  Cu21  1  0.038  0.469  0.250  1.0
  Cu  Cu22  1  0.431  0.062  0.250  1.0
  Cu  Cu23  1  0.062  0.431  0.750  1.0
  Cu  Cu24  1  0.569  0.938  0.750  1.0
  Cu  Cu25  1  0.938  0.569  0.250  1.0
  Cu  Cu26  1  0.328  0.159  0.250  1.0
  Cu  Cu27  1  0.159  0.328  0.750  1.0
  Cu  Cu28  1  0.672  0.841  0.750  1.0
  Cu  Cu29  1  0.841  0.672  0.250  1.0
  Sn  Sn30  1  0.034  0.966  0.250  1.0
  Sn  Sn31  1  0.966  0.034  0.750  1.0
  Sn  Sn32  1  0.135  0.865  0.250  1.0
  Sn  Sn33  1  0.865  0.135  0.750  1.0
  Sn  Sn34  1  0.235  0.765  0.250  1.0
  Sn  Sn35  1  0.765  0.235  0.750  1.0
  Sn  Sn36  1  0.335  0.665  0.250  1.0
  Sn  Sn37  1  0.665  0.335  0.750  1.0
  Sn  Sn38  1  0.434  0.566  0.250  1.0
  Sn  Sn39  1  0.566  0.434  0.750  1.0
[/CIF]
.
The crystal structure described by Cu3Sn is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two Cu(6,6); two equivalent Cu(7); four equivalent Cu(10); two equivalent Sn(1); and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(4)Cu12 cuboctahedra; corners with four Cu(6,6)Cu8Sn4 cuboctahedra; corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with four equivalent Sn(5)Cu12 cuboctahedra;  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra;  an edgeedge with one Sn(1)Cu12 cuboctahedra; edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(4)Cu8Sn4 cuboctahedra; edges with six Cu(6,6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra; faces with two Cu(6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra; faces with two equivalent Sn(1)Cu12 cuboctahedra; faces with two equivalent Sn(2)Cu12 cuboctahedra; faces with two equivalent Sn(5)Cu12 cuboctahedra; faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra; and faces with four equivalent Cu(5)Cu8Sn4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Cu(7), two equivalent Cu(8), four equivalent Cu(9), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(4)Cu12 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with five equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with two equivalent Sn(3)Cu12 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(4)Cu8Sn4 cuboctahedra, and faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra. In the third Cu site, Cu(3) is bonded to two equivalent Cu(9), six equivalent Cu(8), and four equivalent Sn(3) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(3)Cu12 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra, edges with five equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Sn(3)Cu12 cuboctahedra, faces with six equivalent Cu(3)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to two equivalent Cu(10), two equivalent Cu(9), four equivalent Cu(7), two equivalent Sn(2), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(2)Cu12 cuboctahedra,  an edgeedge with one Cu(3)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Sn4 cuboctahedra, and faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra. In the fifth Cu site, Cu(5) is bonded to two equivalent Cu(10), six equivalent Cu(6), two equivalent Sn(1), and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with four equivalent Sn(1)Cu12 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Sn(1)Cu12 cuboctahedra, edges with six equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(1)Cu12 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with four equivalent Cu(5)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(6)Cu8Sn4 cuboctahedra. In the sixth Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with six Cu(6,6)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra; edges with three equivalent Sn(1)Cu12 cuboctahedra; edges with three equivalent Sn(5)Cu12 cuboctahedra; edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra;  a faceface with one Cu(1)Cu8Sn4 cuboctahedra;  a faceface with one Sn(5)Cu12 cuboctahedra; faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra; faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with three equivalent Sn(1)Cu12 cuboctahedra; and faces with ten Cu(6,6,6)Cu8Sn4 cuboctahedra. In the seventh Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with six equivalent Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra, edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(1)Cu12 cuboctahedra, edges with three equivalent Sn(5)Cu12 cuboctahedra, edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra,  a faceface with one Cu(1)Cu8Sn4 cuboctahedra,  a faceface with one Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra, faces with three equivalent Sn(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(6)Cu8Sn4 cuboctahedra. In the eighth Cu site, Cu(6) is bonded to one Cu(1), three equivalent Cu(5), four equivalent Cu(6), one Sn(5), and three equivalent Sn(1) atoms to form CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra; corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with six Cu(6,6)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(1)Cu8Sn4 cuboctahedra; edges with three equivalent Cu(5)Cu8Sn4 cuboctahedra; edges with three equivalent Sn(1)Cu12 cuboctahedra; edges with three equivalent Sn(5)Cu12 cuboctahedra; edges with five equivalent Cu(10)Cu8Sn4 cuboctahedra;  a faceface with one Cu(1)Cu8Sn4 cuboctahedra;  a faceface with one Sn(5)Cu12 cuboctahedra; faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra; faces with three equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with three equivalent Sn(1)Cu12 cuboctahedra; and faces with ten Cu(6,6,6)Cu8Sn4 cuboctahedra. In the ninth Cu site, Cu(7) is bonded to one Cu(1), one Cu(2), two equivalent Cu(10), two equivalent Cu(4), two equivalent Cu(7), one Sn(4), one Sn(5), and two equivalent Sn(2) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with six equivalent Cu(7)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(4)Cu12 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(4)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(1)Cu12 cuboctahedra, edges with two equivalent Sn(2)Cu12 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  a faceface with one Cu(1)Cu8Sn4 cuboctahedra,  a faceface with one Cu(2)Cu8Sn4 cuboctahedra,  a faceface with one Sn(4)Cu12 cuboctahedra,  a faceface with one Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(10)Cu8Sn4 cuboctahedra. In the tenth Cu site, Cu(8) is bonded to one Cu(2), two equivalent Cu(8), two equivalent Cu(9), three equivalent Cu(3), one Sn(4), and three equivalent Sn(3) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with six equivalent Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(2)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(7)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(4)Cu12 cuboctahedra, edges with two equivalent Cu(4)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(2)Cu12 cuboctahedra, edges with three equivalent Cu(3)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(3)Cu12 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra,  a faceface with one Cu(2)Cu8Sn4 cuboctahedra,  a faceface with one Sn(4)Cu12 cuboctahedra, faces with three equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with three equivalent Sn(3)Cu12 cuboctahedra, faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(9)Cu8Sn4 cuboctahedra. In the eleventh Cu site, Cu(9) is bonded to one Cu(3), one Cu(4), two equivalent Cu(2), two equivalent Cu(8), two equivalent Cu(9), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with six equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(10)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(4)Cu12 cuboctahedra, edges with three equivalent Cu(3)Cu8Sn4 cuboctahedra, edges with three equivalent Sn(3)Cu12 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra,  a faceface with one Cu(3)Cu8Sn4 cuboctahedra,  a faceface with one Cu(4)Cu8Sn4 cuboctahedra,  a faceface with one Sn(2)Cu12 cuboctahedra,  a faceface with one Sn(3)Cu12 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra. In the twelfth Cu site, Cu(10) is bonded to one Cu(4), one Cu(5), two equivalent Cu(1), two equivalent Cu(10), two equivalent Cu(7), one Sn(1), one Sn(2), and two equivalent Sn(5) atoms to form distorted CuCu8Sn4 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(6)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(9)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with six equivalent Cu(10)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(4)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(1)Cu12 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(1)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(2)Cu8Sn4 cuboctahedra, edges with two equivalent Sn(4)Cu12 cuboctahedra, edges with two equivalent Sn(5)Cu12 cuboctahedra, edges with five equivalent Cu(6)Cu8Sn4 cuboctahedra,  a faceface with one Cu(4)Cu8Sn4 cuboctahedra,  a faceface with one Cu(5)Cu8Sn4 cuboctahedra,  a faceface with one Sn(1)Cu12 cuboctahedra,  a faceface with one Sn(2)Cu12 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(5)Cu12 cuboctahedra, faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra, and faces with six equivalent Cu(7)Cu8Sn4 cuboctahedra. There are five inequivalent Sn sites. In the first Sn site, Sn(3) is bonded to two equivalent Cu(9), four equivalent Cu(3), and six equivalent Cu(8) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(3)Cu12 cuboctahedra, corners with four equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with five equivalent Sn(4)Cu12 cuboctahedra, edges with six equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with four equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with six equivalent Cu(8)Cu8Sn4 cuboctahedra, and faces with six equivalent Sn(3)Cu12 cuboctahedra. In the second Sn site, Sn(4) is bonded to two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(7), two equivalent Cu(8), and four equivalent Cu(9) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(1)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(4)Cu12 cuboctahedra, corners with four equivalent Cu(2)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(8)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(5)Cu12 cuboctahedra, edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with five equivalent Sn(3)Cu12 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(3)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(8)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(4)Cu12 cuboctahedra, faces with four equivalent Cu(9)Cu8Sn4 cuboctahedra, and faces with four equivalent Sn(2)Cu12 cuboctahedra. In the third Sn site, Sn(5) is bonded to two equivalent Cu(1); two equivalent Cu(5); two Cu(6,6); two equivalent Cu(7); and four equivalent Cu(10) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(2)Cu8Sn4 cuboctahedra; corners with two equivalent Sn(1)Cu12 cuboctahedra; corners with two equivalent Sn(5)Cu12 cuboctahedra; corners with four equivalent Cu(1)Cu8Sn4 cuboctahedra; corners with four Cu(6,6)Cu8Sn4 cuboctahedra; corners with four equivalent Cu(7)Cu8Sn4 cuboctahedra;  an edgeedge with one Cu(5)Cu8Sn4 cuboctahedra;  an edgeedge with one Sn(4)Cu12 cuboctahedra; edges with two equivalent Cu(7)Cu8Sn4 cuboctahedra; edges with four equivalent Cu(10)Cu8Sn4 cuboctahedra; edges with four equivalent Sn(2)Cu12 cuboctahedra; edges with six Cu(6,6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(5)Cu8Sn4 cuboctahedra; faces with two Cu(6,6)Cu8Sn4 cuboctahedra; faces with two equivalent Cu(7)Cu8Sn4 cuboctahedra; faces with two equivalent Sn(5)Cu12 cuboctahedra; faces with four equivalent Cu(10)Cu8Sn4 cuboctahedra; and faces with four equivalent Sn(1)Cu12 cuboctahedra. In the fourth Sn site, Sn(1) is bonded to two equivalent Cu(1), two equivalent Cu(10), two equivalent Cu(5), and six equivalent Cu(6) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(1)Cu12 cuboctahedra, corners with two equivalent Sn(5)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(6)Cu8Sn4 cuboctahedra,  an edgeedge with one Cu(1)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(2)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(5)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with six equivalent Cu(6)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(5)Cu8Sn4 cuboctahedra, faces with four equivalent Sn(1)Cu12 cuboctahedra, faces with four equivalent Sn(5)Cu12 cuboctahedra, and faces with six equivalent Cu(6)Cu8Sn4 cuboctahedra. In the fifth Sn site, Sn(2) is bonded to two equivalent Cu(10), two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(9), and four equivalent Cu(7) atoms to form SnCu12 cuboctahedra that share corners with two equivalent Cu(3)Cu8Sn4 cuboctahedra, corners with two equivalent Cu(5)Cu8Sn4 cuboctahedra, corners with two equivalent Sn(2)Cu12 cuboctahedra, corners with four equivalent Cu(10)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(4)Cu8Sn4 cuboctahedra, corners with four equivalent Cu(9)Cu8Sn4 cuboctahedra,  an edgeedge with one Sn(1)Cu12 cuboctahedra,  an edgeedge with one Sn(3)Cu12 cuboctahedra, edges with two equivalent Cu(10)Cu8Sn4 cuboctahedra, edges with two equivalent Cu(9)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(7)Cu8Sn4 cuboctahedra, edges with four equivalent Cu(8)Cu8Sn4 cuboctahedra, edges with four equivalent Sn(5)Cu12 cuboctahedra, faces with two equivalent Cu(1)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(10)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(2)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(4)Cu8Sn4 cuboctahedra, faces with two equivalent Cu(9)Cu8Sn4 cuboctahedra, faces with two equivalent Sn(2)Cu12 cuboctahedra, faces with four equivalent Cu(7)Cu8Sn4 cuboctahedra, and faces with four equivalent Sn(4)Cu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.068
_cell_length_b   24.068
_cell_length_c   4.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   166.545
_symmetry_Int_Tables_number   1
_cell_volume   584.024
_cell_formula_units_Z   10
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
  Cu  Cu0  1  0.930  0.070  0.250  1.0
  Cu  Cu1  1  0.070  0.930  0.750  1.0
  Cu  Cu2  1  0.830  0.170  0.250  1.0
  Cu  Cu3  1  0.170  0.830  0.750  1.0
  Cu  Cu4  1  0.729  0.271  0.250  1.0
  Cu  Cu5  1  0.271  0.729  0.750  1.0
  Cu  Cu6  1  0.629  0.371  0.250  1.0
  Cu  Cu7  1  0.371  0.629  0.750  1.0
  Cu  Cu8  1  0.530  0.470  0.250  1.0
  Cu  Cu9  1  0.470  0.530  0.750  1.0
  Cu  Cu10  1  0.722  0.753  0.250  1.0
  Cu  Cu11  1  0.753  0.722  0.750  1.0
  Cu  Cu12  1  0.278  0.247  0.750  1.0
  Cu  Cu13  1  0.247  0.278  0.250  1.0
  Cu  Cu14  1  0.633  0.864  0.250  1.0
  Cu  Cu15  1  0.864  0.633  0.750  1.0
  Cu  Cu16  1  0.367  0.136  0.750  1.0
  Cu  Cu17  1  0.136  0.367  0.250  1.0
  Cu  Cu18  1  0.531  0.962  0.250  1.0
  Cu  Cu19  1  0.962  0.531  0.750  1.0
  Cu  Cu20  1  0.469  0.038  0.750  1.0
  Cu  Cu21  1  0.038  0.469  0.250  1.0
  Cu  Cu22  1  0.431  0.062  0.250  1.0
  Cu  Cu23  1  0.062  0.431  0.750  1.0
  Cu  Cu24  1  0.569  0.938  0.750  1.0
  Cu  Cu25  1  0.938  0.569  0.250  1.0
  Cu  Cu26  1  0.328  0.159  0.250  1.0
  Cu  Cu27  1  0.159  0.328  0.750  1.0
  Cu  Cu28  1  0.672  0.841  0.750  1.0
  Cu  Cu29  1  0.841  0.672  0.250  1.0
  Sn  Sn30  1  0.034  0.966  0.250  1.0
  Sn  Sn31  1  0.966  0.034  0.750  1.0
  Sn  Sn32  1  0.135  0.865  0.250  1.0
  Sn  Sn33  1  0.865  0.135  0.750  1.0
  Sn  Sn34  1  0.235  0.765  0.250  1.0
  Sn  Sn35  1  0.765  0.235  0.750  1.0
  Sn  Sn36  1  0.335  0.665  0.250  1.0
  Sn  Sn37  1  0.665  0.335  0.750  1.0
  Sn  Sn38  1  0.434  0.566  0.250  1.0
  Sn  Sn39  1  0.566  0.434  0.750  1.0
[/CIF]
.