Dear Vidya Saraswathi

For the answer to your question, read the conversation of the question linked bellow. I hope you will get an idea about it..

Good wishes

https://www.researchgate.net/post/Can-someone-advise-me-to-do-Rietveld-Refinement-of-the-material-whose-Crystallographic-Information-Framework-CIF-file-is-not-available

Thank you for the response.

I don't have any idea about the Wyckoff position.

Dear Vidya Saraswathi if you have knowledge related to refinement of Xrd pattern. then you just Change rpa value to -1 in PCR file. You will get CIF file. Thank you.

Thank you.

Dear Vidya Saraswathi

If you are working on known material, and if there are some publications on crystallography of that material, then you can find the positions and related values from the publications. Values you find in the publications may differ slightly from the actual values. By using them, you can refine your data and you can get exact values for your material only after refinement.

After refinement, you can get CIF of your material.