>
> Is there a way to loop over _atom_site entries?
>

The README contains an example of getting the AtomSite object. From there
you can loop with a stream, e.g.

        AtomSite atomSite = data.getAtomSite();
        FloatColumn xCoord = atomSite.getCartnX();
        xCoord.values().forEach(<do somethin here>);

Of course you can also parse into a BioJava Structure object which will
read all coordinates, atom names etc. See the tutorial:

https://github.com/biojava/biojava-tutorial/blob/master/structure/mmcif.md
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