File: spacegroup-mg.py

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python-ase 3.26.0-2
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from ase.spacegroup import crystal

a = 3.21
c = 5.21
mg = crystal(
    'Mg',
    [(1.0 / 3.0, 2.0 / 3.0, 3.0 / 4.0)],
    spacegroup=194,
    cellpar=[a, a, c, 90, 90, 120],
)