R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.890492 10.890492 52.337854 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20832000 Y=0.20832000 Z=0.20832000
          MULT= 2          ISPLIT= 4
      -1: X=0.79168000 Y=0.79168000 Z=0.79168000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38790000 Y=0.38790000 Z=0.38790000
          MULT= 2          ISPLIT= 4
      -2: X=0.61210000 Y=0.61210000 Z=0.61210000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Hg         NPT=  781  R0=.000005000 RMT= 2.43        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08893000 Y=0.08893000 Z=0.08893000
          MULT= 2          ISPLIT= 4
      -4: X=0.91107000 Y=0.91107000 Z=0.91107000
As         NPT=  781  R0=.000050000 RMT= 2.20        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000