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SYMM :
This is an alternative to the GROUp command.
The SYMM keyword should be followed by three lines containing
the rotational and translational part of a valid symmetry operator as shown below
for the operator
1/2 - x, 1/2 + y,
SYMM
-1.0 0.0 0.0 0.50
0.0 1.0 0.0 0.50
0.0 0.0 -1.0 0.00
The identity operator is defined internally and should not be given. QS does not
understand fractions, so translational parts like 1/6 must be converted to floats with a
sufficient number of decimal digits after the period (0.33 will be converted by QS to 0.3300 which for most problems is a bad
approximation to 1/3. You are better off giving something like
0.33333333).
NMG, January 2005