P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc  
MODE OF CALC=RELA unit=bohr
 14.632149 14.632149 20.902261 90.000000 90.000000 90.000000
ATOM  -1: X=0.22000000 Y=0.28200000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -1: X=0.78000000 Y=0.71800000 Z=0.00000000
      -1: X=0.71800000 Y=0.22000000 Z=0.00000000
      -1: X=0.28200000 Y=0.78000000 Z=0.00000000
      -1: X=0.28000000 Y=0.78200000 Z=0.50000000
      -1: X=0.72000000 Y=0.21800000 Z=0.50000000
      -1: X=0.21800000 Y=0.28000000 Z=0.50000000
      -1: X=0.78200000 Y=0.72000000 Z=0.50000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.25300000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.74700000
      -2: X=0.50000000 Y=0.50000000 Z=0.75300000
      -2: X=0.50000000 Y=0.50000000 Z=0.24700000
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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.50000000 Z=0.75000000
      -4: X=0.50000000 Y=0.00000000 Z=0.25000000
      -4: X=0.50000000 Y=0.00000000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000