Finding similar crystal structures is an interesting task for possible application to materials design . We here demonstrate the similar structure search on the CLICS feature space. Table shows top-5 similar structures in the validation set for PrVO 4 , Sm 2 CoMnO 6 , and FeTa 2 O 6 (displayed in Figure ). The top-5 similar structures of PrVO 4 are all zircon-type or zircon-derived. Those of Sm 2 CoMnO 6 are all orthorhombic perovskite-derived. This class of structure is abundant and these similar structures have the same type of compositions. FeTa 2 O 6 is a tapiolite, a rutile-derived structured. The second and fourth similar crystals have also rutile-derived structures. The first, third, and fifth are hydrophilite-derived structured, which are also attributed to a distorted rutile family . In fact, the four corner-connected chains of edge-sharing octahedral geometries were observed for these crystals.