The atmospheric process of a hydrological cycle is an important factor in the regional hydrological cycle, which determines dry-wet conditions in the region. In recent years, droughts have occurred frequently and covered a wide area in Inner Mongolia Autonomous Region, China, so the study of the atmospheric hydrological cycle in this region is vitally important for drought control. Drivers of different factors were identified by utilizing a geographical detector, especially influences of human activities in the region. Finally, mechanisms of mutual feedback between a nature-society coupling system and the atmospheric hydrological cycle were analyzed. The results demonstrate that 1) The characteristics of atmospheric water resources in Inner Mongolia have high spatial differences and their distribution are uneven. 2) The precipitation conversion efficiency in the region is dominated by the natural system, and the driving action of the nature-society coupling system formed after combining with the social system is stronger. The dominant drivers of the precipitation conversion efficiency in each subregion after partition are related to the ecological stability thereof. This study provides a scientific basis for identifying driving mechanisms of and preventing disasters in the atmospheric process of the water vapor cycle in Inner Mongolia Autonomous Region.