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The symmetry-adapted Monte Carlo sampling scheme is applied for the ab initio study of two mineral systems, namely the calcite structured compound Ca0.75Mg0.25CO3 and soda-melilite (Na,Ca)AlSi2O7. It is shown how an extensive use of symmetry, from the sampling of atomic configurations up to the quantum-mechanical calculation, makes feasible the investigation of large configuration spaces. As for the...