Improve unphysical (greater than 1) occupancy handling in `CifParser` and add missing site label `if not check_occu` #5928

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Triggered via pull request May 13, 2024 12:07

synchronize #3819

DanielYang59:fix-3816-cif

Status Success

Total duration 11m 23s

Artifacts –

test.yml

on: pull_request

Matrix: test

trigger_atomate2_ci