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I have a structural information (in Cartesian coordinate system) of a small molecule. According to the literature, one unit cell contains three molecules. I have set the parameters of the unit cell such as space symmetry, a and c. How can I set the atomic positions of my molecule in the next step? As I know, those positions should be written in fractional coordinate system other than Cartersian coordinate system. What's more, how can I set the orientation of 3 molecules in one unit cell? Is there any rule to follow?