Combining various sources to create a complementary system plays a key role in utilizing clean energy sources economically and mitigating air pollution during the heating season in Northern China. However, there is a lack of unified and reasonable design methods for such systems, resulting in the excessive capacity of equipment and the waste of energy. In this work, a unified design method is proposed to solve this problem. A generalized structure and its mathematical model are firstly established, enabling transient simulations on the TRNSYS platform. Then, a preliminary screening criterion for the system composition a general operation strategy is proposed. Finally, the system configuration is optimized by using the genetic algorithm. The method is successfully applied in a demonstration project in China. The results show that the coupling system consisting of a biomass boiler (384 kW), an air-source heat pump (430 kW) and a ground-source heat pump (369 kW) is the most economical, and the annual cost is 26.7% lower than that of a single-equipment system. Additionally, the sensitive factors that strongly affect the optimization results are explored. The establishment of the generalized structure and its mathematical model enables the quick calculation and convenient comparison of various schemes, and simplifies the complicated optimization problem of the capacity optimization of each piece of equipment. The proposed design method can reduce the annual cost to a minimum value, and thus it provides a theoretical basis for the large-scale application of clean energy sources for heating.