https://www.materialscloud.org/work/tools/seekpath

例： SG 12 (unique axis // c の場合)

import seekpath
import numpy as np

cell = [[5.279505, -2.515141, -1.628900], [0.0, 9.883000, 0.0], [5.279505, -2.515141, 1.628900]]
positions = [[0.0, 0.0, 0.0]]
atomic_numbers = [1]
structure = (cell, positions, atomic_numbers)

path = seekpath.get_path_orig_cell(structure)

print("High symmetry points:")
for point, coords in path['point_coords'].items():
    coords_str = ', '.join(format(c, '.6f') for c in coords)
    print(f"{point}: {coords_str}")