File: spacegroup-skutterudite.py

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python-ase 3.26.0-3
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from ase.spacegroup import crystal

a = 9.04
skutterudite = crystal(
    ('Co', 'Sb'),
    basis=[(0.25, 0.25, 0.25), (0.0, 0.335, 0.158)],
    spacegroup=204,
    cellpar=[a, a, a, 90, 90, 90],
)