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I want to figure out the high-symmetry points in the first Brillouin zone of space group R-3m (166). For example, there are points K and M just like the bandstructure in this paper. But I can't figure out each component of kx, ky, kz from Bilbao Crystallographic Serve. Can anyone help me? I am not fimiliar about space groups. Thanks in advance!

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As described on the paper, the system presents a hexagonal unit cell. From the paper recommended by @MathJacky (if you don't have access to the published paper, there is an arXiv version), we have that the Brillouin zone lattice is:

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And the high symmetry points $\Gamma$, $A$, $H$, $K$, $L$, and $M$ can be calculated as:

enter image description here

With that information, you can generate the path between continuous points.

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