Roadway multi-fatality crashes have always been a vital issue for traffic safety. This study aims to explore the contributory factors and interdependent characteristics of multi-fatality crashes using a novel framework combining association rules mining and rules graph structures. A case study is conducted using data from 1068 severe fatal crashes in China from 2015 to 2020, and 1452 interesting rules are generated using an association rule mining approach. Several modular rules graph structures are constructed based on graph theory to reflect the interactions and patterns between different variables. The results indicate that multi-fatality crashes are highly associated with improper operations, passenger overload, fewer lanes, mountainous terrain, and run-off-the-road crashes, representing the key variables of factors concerning driver, vehicle, road, environment, and accident, respectively. Furthermore, crashes involving different severity levels, road categories, and terrain are verified to possess unique association rules and independent crash patterns. Moreover, the proportion of severe crashes caused by a combination of human-vehicle-road-environment factors (43%) is much higher than that of normal crashes (3%). This study reveals that the hidden associations between various factors contribute to the overrepresentation and severity of multi-fatality crashes. It also demonstrates that the crash mechanisms involving multi-fatality crashes and their interactions are more complex at the system level than those for normal crashes. The proposed framework can effectively map the intrinsic link between multiple crash factors and potential risks, providing transportation agencies with helpful insights for targeted safety measures and preventive strategies.