P   LATTICE,NONEQUIV.ATOMS   6   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.776438 19.855352 20.940055 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.44110000 Y=0.03400000 Z=0.35700000
          MULT= 4          ISPLIT= 8
      -1: X=0.05890000 Y=0.96600000 Z=0.85700000
      -1: X=0.94110000 Y=0.46600000 Z=0.64300000
      -1: X=0.55890000 Y=0.53400000 Z=0.14300000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03570000 Y=0.25850000 Z=0.21220000
          MULT= 4          ISPLIT= 8
      -2: X=0.46430000 Y=0.74150000 Z=0.71220000
      -2: X=0.53570000 Y=0.24150000 Z=0.78780000
      -2: X=0.96430000 Y=0.75850000 Z=0.28780000
In         NPT=  781  R0=.000010000 RMT= 2.39        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.66610000 Y=0.25340000 Z=0.21230000
          MULT= 4          ISPLIT= 8
      -3: X=0.83390000 Y=0.74660000 Z=0.71230000
      -3: X=0.16610000 Y=0.24660000 Z=0.78770000
      -3: X=0.33390000 Y=0.75340000 Z=0.28770000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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=0.14520000 Y=0.44750000 Z=0.09470000
          MULT= 4          ISPLIT= 8
      -4: X=0.35480000 Y=0.55250000 Z=0.59470000
      -4: X=0.64520000 Y=0.05250000 Z=0.90530000
      -4: X=0.85480000 Y=0.94750000 Z=0.40530000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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=0.18910000 Y=0.25990000 Z=0.41740000
          MULT= 4          ISPLIT= 8
      -5: X=0.31090000 Y=0.74010000 Z=0.91740000
      -5: X=0.68910000 Y=0.24010000 Z=0.58260000
      -5: X=0.81090000 Y=0.75990000 Z=0.08260000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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=0.17940000 Y=0.06160000 Z=0.11900000
          MULT= 4          ISPLIT= 8
      -6: X=0.32060000 Y=0.93840000 Z=0.61900000
      -6: X=0.67940000 Y=0.43840000 Z=0.88100000
      -6: X=0.82060000 Y=0.56160000 Z=0.38100000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000