P   LATTICE,NONEQUIV.ATOMS   6   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.612582  8.883981 18.479632 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.29710000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.70290000
Hg         NPT=  781  R0=.000005000 RMT= 2.47        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.47        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.54830000 Y=0.50000000 Z=0.27540000
          MULT= 4          ISPLIT= 8
      -3: X=0.45170000 Y=0.50000000 Z=0.72460000
      -3: X=0.04830000 Y=0.50000000 Z=0.72460000
      -3: X=0.95170000 Y=0.50000000 Z=0.27540000
Cd         NPT=  781  R0=.000010000 RMT= 2.28        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.50000000 Z=0.48140000
          MULT= 2          ISPLIT= 8
      -4: X=0.75000000 Y=0.50000000 Z=0.51860000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.50000000 Z=0.02630000
          MULT= 2          ISPLIT= 8
      -5: X=0.75000000 Y=0.50000000 Z=0.97370000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.53380000 Y=0.00000000 Z=0.25400000
          MULT= 4          ISPLIT= 8
      -6: X=0.46620000 Y=0.00000000 Z=0.74600000
      -6: X=0.03380000 Y=0.00000000 Z=0.74600000
      -6: X=0.96620000 Y=0.00000000 Z=0.25400000
As         NPT=  781  R0=.000050000 RMT= 2.16        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000