Dear friend Kailin He

'Crystallography Open Database', 'American Mineralogist Crystal Structure Database' and 'Material Project Database' are some open websites for the CIF.

Thank You.

(0) elaborate a good knowledge in crystal chemistry, crystal symmetry and diffraction to understand the realation between crystal structure models and diffraction patterns

(1) Do a literature search on the crystal structures observed for phases in the Cu-Mo-O and do not only refer to databases (but use these to find the original literature).

(2) Find out about the different "phases" known in the Cu-Mo-O system and find out how the crystal structure information relates to the phases.

(3) keep in mind that is is often an individual scientist's decisition to call "the structures" Mn3Cu3O8 and Cu1.4Mn1.6O4

Then return to your original question

You can easily build such a CIF using softwares like VESTA or Materials Studio.

You can easily build such a CIF using softwares like VESTA or Materials Studio.