P   LATTICE,NONEQUIV.ATOMS   6   51 Pmma    
MODE OF CALC=RELA unit=bohr
 18.666715  8.099366 23.158594 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.74450000
          MULT= 2          ISPLIT=15
      -1: X=0.75000000 Y=0.00000000 Z=0.25550000
Sr         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  38.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.50000000 Z=0.24410000
          MULT= 2          ISPLIT=15
      -2: X=0.75000000 Y=0.50000000 Z=0.75590000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.00000000 Z=0.08140000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.00000000 Z=0.91860000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -4: X=0.25000000 Y=0.50000000 Z=0.55850000
          MULT= 2          ISPLIT=15
      -4: X=0.75000000 Y=0.50000000 Z=0.44150000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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=0.55730000 Y=0.50000000 Z=0.13980000
          MULT= 4          ISPLIT=15
      -5: X=0.44270000 Y=0.50000000 Z=0.86020000
      -5: X=0.05730000 Y=0.50000000 Z=0.86020000
      -5: X=0.94270000 Y=0.50000000 Z=0.13980000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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=0.06820000 Y=0.00000000 Z=0.33510000
          MULT= 4          ISPLIT=15
      -6: X=0.93180000 Y=0.00000000 Z=0.66490000
      -6: X=0.56820000 Y=0.00000000 Z=0.66490000
      -6: X=0.43180000 Y=0.00000000 Z=0.33510000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000