P   LATTICE,NONEQUIV.ATOMS   6   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.808186 14.376470 33.429066 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08160000 Y=0.03780000 Z=0.63070000
          MULT= 4          ISPLIT= 8
      -1: X=0.41840000 Y=0.96220000 Z=0.13070000
      -1: X=0.58160000 Y=0.46220000 Z=0.36930000
      -1: X=0.91840000 Y=0.53780000 Z=0.86930000
Tl         NPT=  781  R0=.000005000 RMT= 2.49        Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08480000 Y=0.03190000 Z=0.36880000
          MULT= 4          ISPLIT= 8
      -2: X=0.41520000 Y=0.96810000 Z=0.86880000
      -2: X=0.58480000 Y=0.46810000 Z=0.63120000
      -2: X=0.91520000 Y=0.53190000 Z=0.13120000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08290000 Y=0.32190000 Z=0.55280000
          MULT= 4          ISPLIT= 8
      -3: X=0.41710000 Y=0.67810000 Z=0.05280000
      -3: X=0.58290000 Y=0.17810000 Z=0.44720000
      -3: X=0.91710000 Y=0.82190000 Z=0.94720000
Br         NPT=  781  R0=.000050000 RMT= 2.25        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=0.57010000 Y=0.19430000 Z=0.04720000
          MULT= 4          ISPLIT= 8
      -4: X=0.92990000 Y=0.80570000 Z=0.54720000
      -4: X=0.07010000 Y=0.30570000 Z=0.95280000
      -4: X=0.42990000 Y=0.69430000 Z=0.45280000
Br         NPT=  781  R0=.000050000 RMT= 2.25        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=0.41600000 Y=0.40250000 Z=0.24300000
          MULT= 4          ISPLIT= 8
      -5: X=0.08400000 Y=0.59750000 Z=0.74300000
      -5: X=0.91600000 Y=0.09750000 Z=0.75700000
      -5: X=0.58400000 Y=0.90250000 Z=0.25700000
Br         NPT=  781  R0=.000050000 RMT= 2.25        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=0.05370000 Y=0.02880000 Z=0.15790000
          MULT= 4          ISPLIT= 8
      -6: X=0.44630000 Y=0.97120000 Z=0.65790000
      -6: X=0.55370000 Y=0.47120000 Z=0.84210000
      -6: X=0.94630000 Y=0.52880000 Z=0.34210000
Br         NPT=  781  R0=.000050000 RMT= 2.25        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000