P   LATTICE,NONEQUIV.ATOMS   4   56 Pccn    
MODE OF CALC=RELA unit=bohr
 10.969860 22.124914 11.281665 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03600000 Y=0.16200000 Z=0.48100000
          MULT= 8          ISPLIT=15
      -2: X=0.96400000 Y=0.83800000 Z=0.51900000
      -2: X=0.53600000 Y=0.66200000 Z=0.51900000
      -2: X=0.46400000 Y=0.33800000 Z=0.48100000
      -2: X=0.46400000 Y=0.16200000 Z=0.98100000
      -2: X=0.53600000 Y=0.83800000 Z=0.01900000
      -2: X=0.96400000 Y=0.66200000 Z=0.01900000
      -2: X=0.03600000 Y=0.33800000 Z=0.98100000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.05000000 Y=0.15900000 Z=0.02000000
          MULT= 8          ISPLIT=15
      -3: X=0.95000000 Y=0.84100000 Z=0.98000000
      -3: X=0.55000000 Y=0.65900000 Z=0.98000000
      -3: X=0.45000000 Y=0.34100000 Z=0.02000000
      -3: X=0.45000000 Y=0.15900000 Z=0.52000000
      -3: X=0.55000000 Y=0.84100000 Z=0.48000000
      -3: X=0.95000000 Y=0.65900000 Z=0.48000000
      -3: X=0.05000000 Y=0.34100000 Z=0.52000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31000000 Y=0.54000000 Z=0.31000000
          MULT= 8          ISPLIT=15
      -4: X=0.69000000 Y=0.46000000 Z=0.69000000
      -4: X=0.81000000 Y=0.04000000 Z=0.69000000
      -4: X=0.19000000 Y=0.96000000 Z=0.31000000
      -4: X=0.19000000 Y=0.54000000 Z=0.81000000
      -4: X=0.81000000 Y=0.46000000 Z=0.19000000
      -4: X=0.69000000 Y=0.04000000 Z=0.19000000
      -4: X=0.31000000 Y=0.96000000 Z=0.81000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000