def METHOD_NAME():
    xyz_file = resource_filename(
        Requirement.parse("molSimplify"),
        "tests/inputs/cr3_f6_optimization.xyz"
    )
    mol = mol3D()
    mol.readfromxyz(xyz_file)
    atoms_ref = [
        ("Cr", [-0.060052, -0.000019, -0.000023]),
        ("F", [1.802823, -0.010399, -0.004515]),
        ("F", [-0.070170, 1.865178, 0.0035660]),
        ("F", [-1.922959, 0.010197, 0.0049120]),
        ("F", [-0.049552, -1.865205, -0.0038600]),
        ("F", [-0.064742, 0.003876, 1.8531400]),
        ("F", [-0.055253, -0.003594, -1.8531790]),
    ]
    for atom, ref in zip(mol.atoms, atoms_ref):
        assert (atom.symbol(), atom.coords()) == ref
    # Test read_final_optim_step
    mol = mol3D()
    mol.readfromxyz(xyz_file, read_final_optim_step=True)
    atoms_ref = [
        ("Cr", [-0.0599865612, 0.0000165451, 0.0000028031]),
        ("F", [1.8820549261, 0.0000076116, 0.0000163815]),
        ("F", [-0.0600064919, 1.9420510001, -0.0000022958]),
        ("F", [-2.0019508544, -0.0000130345, -0.0000067108]),
        ("F", [-0.0599967119, -1.9420284092, 0.0000133671]),
        ("F", [-0.0600235008, 0.0000085354, 1.9418467918]),
        ("F", [-0.0599958059, -0.0000082485, -1.9418293370]),
    ]
    for atom, ref in zip(mol.atoms, atoms_ref):
        assert (atom.symbol(), atom.coords()) == ref