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How should I name data_ values in the CIFs I am depositing?

Solution

​We suggest that when naming data_ values in CIFs you only use alphanumeric characters and for multi-block CIFs it is recommended that each structure is given a unique data_ value. When submitting separate structure factor files please ensure the file names for the structure factor files and the data_ value for the related structure are identical to that of the CIF so that the correct files can be associated together.