The comparison of the various characteristics (Ge fraction in D4R unit, Ge-Ge CN, etc.) of the average germanium distribution between the primitive and the super-cell simulations (Table and SI Figures S37 S38) confirms the expectation that the finite size effects are the most pronounced (changing the selected characteristics by 10-40 %) for rather small primitive cells, such as for those of UTL and BEC (< 3000 Å 3 ), while being smaller for CTH and IWW frameworks with larger primitive cells (> 4000 Å 3 ). Nevertheless, even for UTL and BEC, the finite size effects do not qualitatively change the main observations reported above (Section 3.2). The main consequence of the adoption of the larger simulation cells appears to be a (minor) increase in germanium clustering irrespective of the T site (measured by the total coordination number) at the expense of the germanium localization in the D4R units.