Miguel wrote:
Basically you can have any readable linear expression in x, y, and z:,
including unary operators and simple fractions, each separated by a
comma from the next:
x + 0.5, 1/3 + y, -z - 1/2
I am not trying to be a pain in the neck, I just asked for a URL.
sorry, I see myself that the two at the top don't really get you where
you want to go. Maybe these will help:
http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html
http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Isymmetry_equiv_pos_as_xyz.html
Still, they don't really discuss syntax exactly. Perhaps someone else on
the list has a better link.
I suppose the exact syntax would depend upon what system is being
employed -- some might not allow 1/2 and instead require 0.5. What
reference would you have for that? I guess the International Tables
referred to in that second link is your best bet for a "most generally
acceptable" sytax, which I think I've captured in that method.
Bob
Miguel
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