A computer algorithm to search symmetries of crystal structures as implemented in the \texttt{spglib} code is described. An iterative algorithm is employed to robustly identify space group types tolerating a certain amount of distortion in the crystal structures. The source code is distributed under the 3-Clause BSD License, a permissive open-source software license. This paper focuses on the algorithm for identifying the space group symmetry of the crystal structures.
@article{arxiv.1808.01590,
title = {$\texttt{Spglib}$: a software library for crystal symmetry search},
author = {Atsushi Togo and Kohei Shinohara and Isao Tanaka},
journal= {arXiv preprint arXiv:1808.01590},
year = {2024}
}