Hey, Happy new year to all

How to get Fractional atomic coordinates for the unit cell of a COF ? Here i have attached the DOI of the publication where they are getting the simulated structures. I donot know how to first start the making the project with a new COF? I have tried with by drawing the structure of COF in chemdraw and importing this into materials studio. But how i will make a crystal structure and get a diffraction pattern? I have attached the reference of paper, screenshot of the Structural modeling details and if require i can attach the chemdraw mol file of my COF.

Paper DOI:https://doi.org/10.1039/C5TA10521H