In the first step, AXS provides the Wyckoff positions of the input space group. As each Wyckoff site is associated with a certain multiplicity, there exist a finite number of combinations of Wyckoff sites possible for a specified chemical system and number of atoms. These combinations are enumerated and output by AXS, starting with those with the lowest number of unique Wyckoff sites. This order reflects the occupations of Wyckoff sites across experimental inorganic structures in the Inorganic Crystal Structure Database (ICSD) .