CIF file

[Mohammad Ahmadi]

Hi dear Prof. Dubbeldam
would you please guide me on how can I convert the XRD test to CIF file

[David Dubbeldam]

CIF files are published by experimental groups to convert the structural data in a standardized way. The are uploaded to databases like CSD database.
For simulation codes, the atomic information is necessary _input_ for the simulations, because the positions of all the atoms need to be specified.
Programs like 'Openbabel' can convert between many formats.