Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite/data/XRAY/spacegroups.dat @ 0:8ce0411aaeb3
Uploaded CADDSuite version 0.94
| author | marcel |
|---|---|
| date | Sun, 26 Jun 2011 14:01:09 -0400 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite/data/XRAY/spacegroups.dat Sun Jun 26 14:01:09 2011 -0400 @@ -0,0 +1,4926 @@ +P 1 1 +(X,Y,Z) + +P 1- 2 +(X,Y,Z) +(-X,-Y,-Z) + +P -1 2 +(X,Y,Z) +(-X,-Y,-Z) + +P 2 2 +(X,Y,Z) +(-X,Y,-Z) + +P 1 21 1 2 +(X,Y,Z) +(-X,Y+1/2,-Z) + +P 21 2 +(X,Y,Z) +(-X,Y+1/2,-Z) + +C 1 2 1 4 +(X,Y,Z) +(-X,Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2-X,1/2+Y,-Z) + +C 2 4 +(X,Y,Z) +(-X,Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2-X,1/2+Y,-Z) + +P M 2 +(X,Y,Z) +(X,-Y,Z) + +P C 2 +(X,Y,Z) +(X,-Y,1/2+Z) + +C M 4 +(X,Y,Z) +(X,-Y,Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,Z) + +C C 4 +(X,Y,Z) +(X,-Y,1/2+Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,1/2+Z) + +P 2/M 4 +(X,Y,Z) +(X,-Y,Z) +(-X,Y,-Z) +(-X,-Y,-Z) + +P 21/M 4 +(X,Y,Z) +(-X,1/2+Y,-Z) +(-X,-Y,-Z) +(X,1/2-Y,Z) + +C 2/M 8 +(X,Y,Z) +(X,-Y,Z) +(-X,Y,-Z) +(-X,-Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,Z) +(1/2-X,1/2+Y,-Z) +(1/2-X,1/2-Y,-Z) + +P 2/C 4 +(X,Y,Z) +(-X,Y,1/2-Z) +(-X,-Y,-Z) +(X,-Y,1/2+Z) + +P 21/C 4 +(X,Y,Z) +(-X,-Y,-Z) +(-X,1/2+Y,1/2-Z) 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