File: spacegroup-nacl.py

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from ase.spacegroup import crystal

a = 5.64
nacl = crystal(
    ['Na', 'Cl'],
    [(0, 0, 0), (0.5, 0.5, 0.5)],
    spacegroup=225,
    cellpar=[a, a, a, 90, 90, 90],
)