P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.918821 19.642380 19.633310 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.68120000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.31880000
      -1: X=0.75000000 Y=0.50000000 Z=0.18120000
      -1: X=0.25000000 Y=0.50000000 Z=0.81880000
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=0.31260000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.68740000 Y=0.75000000 Z=0.75000000
      -2: X=0.81260000 Y=0.25000000 Z=0.75000000
      -2: X=0.18740000 Y=0.75000000 Z=0.25000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.15800000 Y=0.18890000 Z=0.54900000
          MULT= 8          ISPLIT= 8
      -3: X=0.84200000 Y=0.81110000 Z=0.45100000
      -3: X=0.65800000 Y=0.18890000 Z=0.45100000
      -3: X=0.34200000 Y=0.81110000 Z=0.54900000
      -3: X=0.84200000 Y=0.68890000 Z=0.04900000
      -3: X=0.15800000 Y=0.31110000 Z=0.95100000
      -3: X=0.34200000 Y=0.68890000 Z=0.95100000
      -3: X=0.65800000 Y=0.31110000 Z=0.04900000
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=0.00480000 Y=0.04470000 Z=0.17970000
          MULT= 8          ISPLIT= 8
      -4: X=0.99520000 Y=0.95530000 Z=0.82030000
      -4: X=0.50480000 Y=0.04470000 Z=0.82030000
      -4: X=0.49520000 Y=0.95530000 Z=0.17970000
      -4: X=0.99520000 Y=0.54470000 Z=0.67970000
      -4: X=0.00480000 Y=0.45530000 Z=0.32030000
      -4: X=0.49520000 Y=0.54470000 Z=0.32030000
      -4: X=0.50480000 Y=0.45530000 Z=0.67970000
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