I recommend to use the projects below to integrate supercell program into research process. Some examples of combined approach you can find in tutorial.

• AiiDA A scalable computational infrastructure for automated reproducible workflows and data provenance. Supercell plugin is in active development by Dr. Pezhman Zarabadi-Poor.
• ASE Atomic Simulation Environment is another set of python tool for setting up, manipulating, running, visualizing and analyzing atomistic simulations. It supports many calculation software, both classical and ab-initio, including CASTEP and VASP.
• cif2cell Cif2cell is a tool to generate an input structure in different formats, like CASTEP, CP2K, CRYSTAL09, Quantum Espresso, VASP and many more.
• COD Open-access structural database with more than 487 472 records (March 2022).
• GULP GULP is a force-field program for performing a variety of tasks on a range of system types. It can be useful for optimizations, energy calculation and analysis of the structure.
• EnCIFer A GUI tool for validating of supercell input structures. Useful for draft structures.
• OpenBabel Open Babel is a chemical toolbox designed to speak many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Over 110 formats are supported.
• VESTA A powerful tool for visualization and editing of crystallographic structures. It supports many input/output formats (including cif) and can visualize partially occupied sites.