Zr-based metal–organic framework catalysts [email protected] (M = Pt–Pd nanoparticles, Pt–Pd nanocages) were assembled using branched Pt–Pd nanoparticles (Pt–PdNPs) or Pt–Pd nanocages (Pt–PdNCs) as cores in UIO-67, and the conditions were controlled to fabricate one-to-one core-shell composites: one Pt–Pd nanoparticle in one UIO-67 nano-octahedron. Compared with Pt–PdNPs@UIO-67, the catalyst Pt–PdNCs@UIO-67 exhibited higher CO2 conversion (26.88%) for the reverse water–gas shift reaction, the superior performance can be attributed to the hollow structure of Pt–Pd nanocages.