Zr4Co4Ge7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Ge(2), two equivalent Ge(4), and three equivalent Ge(1) atoms. In the second Zr site, Zr(2) is bonded to one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms to form distorted ZrGe7 pentagonal bipyramids that share corners with eight equivalent Co(1)Ge6 cuboctahedra, corners with two equivalent Zr(2)Ge7 pentagonal bipyramids,  an edgeedge with one Zr(2)Ge7 pentagonal bipyramid, faces with four equivalent Co(1)Ge6 cuboctahedra, and faces with two equivalent Zr(2)Ge7 pentagonal bipyramids. Co(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted CoGe6 cuboctahedra that share corners with six equivalent Co(1)Ge6 cuboctahedra, corners with four equivalent Zr(2)Ge7 pentagonal bipyramids, edges with three equivalent Co(1)Ge6 cuboctahedra, faces with two equivalent Co(1)Ge6 cuboctahedra, and faces with two equivalent Zr(2)Ge7 pentagonal bipyramids. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), and four equivalent Co(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and four equivalent Co(1) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Zr(2), four equivalent Co(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and two equivalent Ge(4) atoms.
Zr4Co4Ge7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Ge(2), two equivalent Ge(4), and three equivalent Ge(1) atoms. Both Zr(1)-Ge(2) bond lengths are 2.74 Å. Both Zr(1)-Ge(4) bond lengths are 2.90 Å. There is one shorter (2.84 Å) and two longer (2.90 Å) Zr(1)-Ge(1) bond lengths. In the second Zr site, Zr(2) is bonded to one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms to form distorted ZrGe7 pentagonal bipyramids that share corners with eight equivalent Co(1)Ge6 cuboctahedra, corners with two equivalent Zr(2)Ge7 pentagonal bipyramids,  an edgeedge with one Zr(2)Ge7 pentagonal bipyramid, faces with four equivalent Co(1)Ge6 cuboctahedra, and faces with two equivalent Zr(2)Ge7 pentagonal bipyramids. The Zr(2)-Ge(3) bond length is 2.76 Å. Both Zr(2)-Ge(1) bond lengths are 2.75 Å. Both Zr(2)-Ge(2) bond lengths are 2.90 Å. Both Zr(2)-Ge(4) bond lengths are 2.90 Å. Co(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted CoGe6 cuboctahedra that share corners with six equivalent Co(1)Ge6 cuboctahedra, corners with four equivalent Zr(2)Ge7 pentagonal bipyramids, edges with three equivalent Co(1)Ge6 cuboctahedra, faces with two equivalent Co(1)Ge6 cuboctahedra, and faces with two equivalent Zr(2)Ge7 pentagonal bipyramids. Both Co(1)-Ge(1) bond lengths are 2.43 Å. Both Co(1)-Ge(2) bond lengths are 2.47 Å. Both Co(1)-Ge(3) bond lengths are 2.45 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(1), and four equivalent Co(1) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and four equivalent Co(1) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Zr(2), four equivalent Co(1), and one Ge(3) atom. The Ge(3)-Ge(3) bond length is 2.47 Å. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(2), and two equivalent Ge(4) atoms. There is one shorter (2.60 Å) and one longer (2.61 Å) Ge(4)-Ge(4) bond length.