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Failed to match with UNI number for MnBi2Te4 #381

@jincao2013

Description

@jincao2013

spglib version: 2.2.0

Code to reproduce this issue:

import numpy as np
import spglib

symprec = 1e-5
cell = np.array([
    [ 4.33379984,  0.,          0.        ],
    [-2.16689992,  3.75318076,  0.        ],
    [ 0.,          2.50211874, 27.27326917]
])
scaled_positions = np.array([
    [0.        , 0.        , 0.        ],
    [0.50000006, 0.        , 0.49999997],
    [0.28756002, 0.57512003, 0.13731998],
    [0.21244003, 0.42488006, 0.36267999],
    [0.7875601 , 0.57512015, 0.63731992],
    [0.71244007, 0.42488015, 0.86267996],
    [0.93333334, 0.86666668, 0.19999997],
    [0.85282004, 0.70564008, 0.44153997],
    [0.56666672, 0.1333334 , 0.29999998],
    [0.64718002, 0.29436001, 0.05845999],
    [0.4333334 , 0.86666679, 0.69999993],
    [0.35282007, 0.7056402 , 0.94153994],
    [0.06666673, 0.13333346, 0.79999995],
    [0.14718005, 0.2943601 , 0.55846   ]
])
atomic_numbers = np.array([25, 25, 83, 83, 83, 83, 52, 52, 52, 52, 52, 52, 52, 52])
magnetic_moments = np.zeros([14, 3])
magnetic_moments[0, 2] = 1
magnetic_moments[1, 2] = -1
cell_mag = (cell, scaled_positions, atomic_numbers, magnetic_moments)

info_mag = spglib.get_magnetic_symmetry(cell_mag, symprec=symprec, angle_tolerance=-1.0, mag_symprec=-1.0)
info_mag_dataset = spglib.get_magnetic_symmetry_dataset(cell_mag, symprec=symprec)
print(info_mag)
print(info_mag_dataset)

get_magnetic_symmetry works fine, but get_magnetic_symmetry_dataset retures None with warning Failed to match with UNI number!. The MSG for this structure is 167.108, as determined by FINDSYM.

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