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In3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In is bonded in a 4-coordinate geometry to four equivalent Pb atoms. There are two shorter (3.44 Å) and two longer (3.47 Å) In–Pb bond lengths. Pb is bonded to twelve equivalent In atoms to form a mixture of corner and face-sharing PbIn12 cuboctahedra.
In3Pb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to four equivalent In and four equivalent Pb atoms. All In–In bond lengths are 3.36 Å. All In–Pb bond lengths are 3.36 Å. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent In atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent In atoms.