P   LATTICE,NONEQUIV.ATOMS   8    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 16.344241 10.121373 10.896161 90.000000 90.000000101.390000                   
ATOM  -1: X=0.09170000 Y=0.25960000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.90830000 Y=0.74040000 Z=0.75000000
Au         NPT=  781  R0=.000005000 RMT= 1.79        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=0.67210000 Y=0.45300000 Z=0.24800000
          MULT= 2          ISPLIT= 8
      -2: X=0.32790000 Y=0.54700000 Z=0.74800000
Br         NPT=  781  R0=.000050000 RMT= 1.66        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=0.92200000 Y=0.18200000 Z=0.42800000
          MULT= 2          ISPLIT= 8
      -3: X=0.07800000 Y=0.81800000 Z=0.92800000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04600000 Y=0.70900000 Z=0.51400000
          MULT= 2          ISPLIT= 8
      -4: X=0.95400000 Y=0.29100000 Z=0.01400000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.29300000 Y=0.35300000 Z=0.06100000
          MULT= 2          ISPLIT= 8
      -5: X=0.70700000 Y=0.64700000 Z=0.56100000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.22800000 Y=0.22800000 Z=0.54700000
          MULT= 2          ISPLIT= 8
      -6: X=0.77200000 Y=0.77200000 Z=0.04700000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.37700000 Y=0.72400000 Z=0.46000000
          MULT= 2          ISPLIT= 8
      -7: X=0.62300000 Y=0.27600000 Z=0.96000000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.57600000 Y=0.19300000 Z=0.40200000
          MULT= 2          ISPLIT= 8
      -8: X=0.42400000 Y=0.80700000 Z=0.90200000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000