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"""Example to use get_symmetry_dataset with Wurtzite structure input (P6_3mc)."""
from spglib import get_symmetry_dataset
lattice = [[3.111, 0, 0], [-1.5555, 2.6942050311733885, 0], [0, 0, 4.988]]
position = [
[1.0 / 3, 2.0 / 3, 0.0],
[2.0 / 3, 1.0 / 3, 0.5],
[1.0 / 3, 2.0 / 3, 0.6181],
[2.0 / 3, 1.0 / 3, 0.1181],
]
types = [1, 1, 2, 2]
symprec = 1e-5
cell = (lattice, position, types)
dataset = get_symmetry_dataset(cell, symprec=symprec)
print(f"International symbol: {dataset.international} ({dataset.number})")
print(f"Hall symbol: {dataset.hall}")
print("Wyckoff letters: ", end="")
print(" ".join([f"{w}" for w in dataset.wyckoffs]))
print("Equivalent atoms:")
for i, equiv_atom in enumerate(dataset.equivalent_atoms):
print(f"{i} -> {equiv_atom}")
print("Space group operations:")
for i, (r, t) in enumerate(zip(dataset.rotations, dataset.translations)):
print(f"--- {i + 1} ---")
for vec in r:
print(f"{vec[0]:2d} {vec[1]:2d} {vec[2]:2d}")
print(f"{t[0]:.5f} {t[1]:.5f} {t[2]:.5f}")
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