For structures at higher σ ang , as they are inherently more disordered due to the worse alignment of the cages (Fig. )), our procedure struggled to find a space group. In these cases, we were still able to abstract a unit cell and instead visually compared our structures to those found in the literature. An overview of which ones were solved using FINDSYM and which ones required optical treatment is given in Table along with representative configurations of each visually solved phase (Fig. ). We then took the most prevalent ordered phases from the simulations and used them to colour the phase diagram by comparing the similarity of the RDF from the simulated data to the RDF of the solved phase using dynamic time warping, details of which are in Section S4.