Dear Wien2k community, I am working on an Iron Selenide superconductor with a formula (Li0.8Fe0.2)OHFeSe. The 5 Wyckoff positions are given below:
[image: Inline image 1] My question is how can one include the Li/Fe1 contribution in the master case.struct file as the 3rd position is partially occupied by Lithium (81 percent) and partially by Iron (19 percent). your assistance is truly appreciated.
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