R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.463749  9.463749 48.087862 90.000000 90.000000120.000000                   
ATOM  -1: X=0.09330000 Y=0.09330000 Z=0.09330000
          MULT= 2          ISPLIT= 4
      -1: X=0.90670000 Y=0.90670000 Z=0.90670000
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=0.20750000 Y=0.20750000 Z=0.20750000
          MULT= 2          ISPLIT= 4
      -2: X=0.79250000 Y=0.79250000 Z=0.79250000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40190000 Y=0.40190000 Z=0.40190000
          MULT= 2          ISPLIT= 4
      -3: X=0.59810000 Y=0.59810000 Z=0.59810000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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