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Raise an error when faced with ambiguous CASTEP .cell #160

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Raise an error when faced with ambiguous CASTEP .cell

Raise an error when faced with ambiguous CASTEP .cell #160

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Job Run time
Python 3.8
4m 11s
Python 3.9
1m 17s
Python 3.10
3m 32s
Python 3.11
3m 29s
12m 29s