Cellular automata are used as dynamic topological models of crystal structures based upon frameworks consisting of fundamental building blocks. Structure is considered as an automaton that works in accord with a prescribed program. Cellular automata models are constructed for metal sulfide frameworks in minerals and compounds of the pentlandite-djerfisherite-bartonite series, for zeolite ACO and compounds with pharmacosiderite structure, leucophosphite, phosphovanadylite etc.