​Data for crystal structures of compounds not included in the Cambridge Structural Database (CSD) or the Inorganic Crystal Structure Database (ICSD) are collected by the databases shown below:

- Protein Data Bank (PDB) for polypeptides and polysaccharides having more than 24 units
- Nucleic Acids Data Bank for oligonucleotides
- The International Centre for Diffraction Data (ICDD) for powder diffraction data without atomic coordinates
- Incommensurate Structures Database (ICSDB)

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