ENH: Atoms.get_spacegroup() method which determines the spacegroup from the Atoms.positions
Add a get_spacegroup method to Atoms, in a way similar to pyspglib.
Methodology: Test space groups from highest to lowest symmetry, and return the first match which keeps the cell unaffected by applying symmetry operators.
Merge request from a cleaned (recent) repo which has testing pipeline OK. This is a re-submission after a few failures. Sorry for that. ;-)
Emmanuel.