import spglib
import numpy as np

print(f"spglib version: {spglib.__version__}\n")

# Example structure
basis_vectors = np.diag([1, 1, 1])
atomic_points = [[0, 0, 0]]
types = [1]

# Rotate around z axis
theta = 42/180 * np.pi
R = np.array(
    [
        [np.cos(theta), -np.sin(theta), 0],
        [np.sin(theta), np.cos(theta), 0],
        [0, 0, 1],
    ]
)
basis_vectors = basis_vectors @ R.T

# Get a dataset
dataset = spglib.get_symmetry_dataset((basis_vectors, atomic_points, types))

# Print some info about the basis vectors
print(f"original basis vectors\n\n{basis_vectors}\n")
print(f"dataset.std_lattice\n\n{dataset.std_lattice}\n")

spglib version: 2.6.0

original basis vectors

[[ 0.74314483  0.66913061  0.        ]
 [-0.66913061  0.74314483  0.        ]
 [ 0.          0.          1.        ]]

dataset.std_lattice

[[1. 0. 0.]
 [0. 1. 0.]
 [0. 0. 1.]]