P   LATTICE,NONEQUIV.ATOMS   6   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.232078  8.808014 17.812559 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.23157000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.76843000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        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=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        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=0.57680000 Y=0.50000000 Z=0.20610000
          MULT= 4          ISPLIT= 8
      -3: X=0.42320000 Y=0.50000000 Z=0.79390000
      -3: X=0.07680000 Y=0.50000000 Z=0.79390000
      -3: X=0.92320000 Y=0.50000000 Z=0.20610000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
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=0.51570000
          MULT= 2          ISPLIT= 8
      -4: X=0.75000000 Y=0.50000000 Z=0.48430000
Br         NPT=  781  R0=.000050000 RMT= 2.45        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=0.01600000
          MULT= 2          ISPLIT= 8
      -5: X=0.75000000 Y=0.50000000 Z=0.98400000
Br         NPT=  781  R0=.000050000 RMT= 2.45        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=0.00580000 Y=0.00000000 Z=0.25030000
          MULT= 4          ISPLIT= 8
      -6: X=0.99420000 Y=0.00000000 Z=0.74970000
      -6: X=0.50580000 Y=0.00000000 Z=0.74970000
      -6: X=0.49420000 Y=0.00000000 Z=0.25030000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000