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LiAgIn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAgIn2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent In atoms. Both Li–In bond lengths are 2.87 Å. Ag is bonded in a linear geometry to two equivalent In atoms. Both Ag–In bond lengths are 2.74 Å. In is bonded in a linear geometry to one Li and one Ag atom.
LiAgIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Li–In bond lengths are 2.98 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Ag–In bond lengths are 2.98 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.