P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.091353 19.624806 19.700395 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.18340000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.81660000
      -1: X=0.75000000 Y=0.50000000 Z=0.68340000
      -1: X=0.25000000 Y=0.50000000 Z=0.31660000
In         NPT=  781  R0=.000010000 RMT= 2.41        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  -2: X=0.67680000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.32320000 Y=0.75000000 Z=0.75000000
      -2: X=0.17680000 Y=0.25000000 Z=0.75000000
      -2: X=0.82320000 Y=0.75000000 Z=0.25000000
In         NPT=  781  R0=.000010000 RMT= 2.41        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00140000 Y=0.04780000 Z=0.32120000
          MULT= 8          ISPLIT= 8
      -3: X=0.99860000 Y=0.95220000 Z=0.67880000
      -3: X=0.50140000 Y=0.04780000 Z=0.67880000
      -3: X=0.49860000 Y=0.95220000 Z=0.32120000
      -3: X=0.99860000 Y=0.54780000 Z=0.82120000
      -3: X=0.00140000 Y=0.45220000 Z=0.17880000
      -3: X=0.49860000 Y=0.54780000 Z=0.17880000
      -3: X=0.50140000 Y=0.45220000 Z=0.82120000
Br         NPT=  781  R0=.000050000 RMT= 2.29        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=0.34320000 Y=0.18610000 Z=0.04780000
          MULT= 8          ISPLIT= 8
      -4: X=0.65680000 Y=0.81390000 Z=0.95220000
      -4: X=0.84320000 Y=0.18610000 Z=0.95220000
      -4: X=0.15680000 Y=0.81390000 Z=0.04780000
      -4: X=0.65680000 Y=0.68610000 Z=0.54780000
      -4: X=0.34320000 Y=0.31390000 Z=0.45220000
      -4: X=0.15680000 Y=0.68610000 Z=0.45220000
      -4: X=0.84320000 Y=0.31390000 Z=0.54780000
Br         NPT=  781  R0=.000050000 RMT= 2.29        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000