P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.462289 14.052004 11.742758 90.000000 90.000000121.330000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.38        Z:  79.00000              
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=0.50000000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.38170000 Y=0.12170000 Z=0.01650000
          MULT= 4          ISPLIT= 8
      -3: X=0.61830000 Y=0.87830000 Z=0.98350000
      -3: X=0.11830000 Y=0.37830000 Z=0.51650000
      -3: X=0.88170000 Y=0.62170000 Z=0.48350000
Br         NPT=  781  R0=.000050000 RMT= 2.07        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=0.16910000 Y=0.54190000 Z=0.20510000
          MULT= 4          ISPLIT= 8
      -4: X=0.83090000 Y=0.45810000 Z=0.79490000
      -4: X=0.33090000 Y=0.95810000 Z=0.70510000
      -4: X=0.66910000 Y=0.04190000 Z=0.29490000
Br         NPT=  781  R0=.000050000 RMT= 2.07        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000