Dataset for "Site-specific symmetry sensitivity of angle-resolved photoemission spectroscopy in layered palladium diselenide"

PdSe$_2$ is an emerging 2D transition-metal dichalcogenide with band gap ranging from $\sim 1.3$~eV in the monolayer to a predicted semimetallic behavior in the bulk. Our measurements reveal the semiconducting nature of the bulk. Furthermore, constant binding-energy maps of reciprocal space display a remarkable site-specific sensitivity to the atomic arrangement and its symmetry. This dataset contains details necessary to reproduce the supporting density functional theory calculations within the associated publication. It also contains the raw experimental ARPES data.