Peter, I'm not sure why you said:
The whole set was:
1 '-x, y, -z+1/2' 2 '-x, -y, z+1/2' 3 '-x, y, z' 4 '-x, -y, -z' 5 'x, -y, z+1/2'
But, still, 'x, y, z' is not there, is it?
No, and this is not a space group. Even with x,y,z, it is still not a group or a factor group of a group. It should simply throw an error.
Why do you say that? This is the orthorhombic space group IT#63, Cmcm. Why should this "throw an error"? CCSD Mercury reads this just fine.
Bob
-- Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr
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