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CIF parsing does not work when pdb flags are used

#4583OpenAndrew-S-Rosen 创建于 2026-02-08
bug
A
Andrew-S-Rosencommented
### Python version 3.12 ### Pymatgen version 2025.10.7 ### Operating system version _No response_ ### Current behavior The Pymatgen CIF parser cannot properly parse CIFs where the pdb formatting flags are used. Most parsers can't, although the official CCDC Mercury GUI can. This is a horrible format, and I'm not suggesting someone waste their time to fix it, but I'm reporting it anyway. [demo.cif.txt](https://github.com/user-attachments/files/25162946/demo.cif.txt) ```python from pymatgen.core import Structure s = Structure.from_file('demo.cif') ``` ### Expected Behavior CIF should be parsed. ### Minimal example ```Python ``` ### Relevant files to reproduce this bug _No response_
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