High-resolution synchroton powder diffraction in conjunction with entropy maximization (ME) was found to be a powerful tool for studying the location of guest molecules in host compounds. We were able to reconstruct the sodalite framework in a reasonably precise way. From the ME density distribution we obtained a model of orientationally and conformationally disordered 1,3-dioxolane, which could be refined by the Rietveld method. Our interpretation of the density of the disordered molecule was guided by elaborated three-dimensional visualization techniques together with a geometrical configuration approach which uses stereochemical knowledge to identify possible molecule candidates within the reconstructed density distribution.