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Hello,
I use DMol3 to run DFT calculations remotely on a supercomputer.
Currently I am investigating Cd/Zn Alloy system. On the Materials Studio Visualizer, I managed to create the composition Cd 95%/Zn 5%, however, nothing in the .car or ,input appears to consider this composition and only Cd appears in the .car file. Any idea how can I include this in the calculations? Is there any other files need to be uploaded rather than the .car and .input files?
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