R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.716638 10.716638 50.979143 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08830000 Y=0.08830000 Z=0.08830000
          MULT= 2          ISPLIT= 4
      -1: X=0.91170000 Y=0.91170000 Z=0.91170000
P          NPT=  781  R0=.000100000 RMT= 1.90        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20800000 Y=0.20800000 Z=0.20800000
          MULT= 2          ISPLIT= 4
      -2: X=0.79200000 Y=0.79200000 Z=0.79200000
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=0.38910000 Y=0.38910000 Z=0.38910000
          MULT= 2          ISPLIT= 4
      -3: X=0.61090000 Y=0.61090000 Z=0.61090000
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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000