P   LATTICE,NONEQUIV.ATOMS   6   56 Pccn    
MODE OF CALC=RELA unit=bohr
 19.978185 20.626361 19.180720 90.000000 90.000000 90.000000
ATOM  -1: X=0.08922000 Y=0.60099000 Z=0.07228000
          MULT= 8          ISPLIT=15
      -1: X=0.91078000 Y=0.39901000 Z=0.92772000
      -1: X=0.58922000 Y=0.10099000 Z=0.92772000
      -1: X=0.41078000 Y=0.89901000 Z=0.07228000
      -1: X=0.41078000 Y=0.60099000 Z=0.57228000
      -1: X=0.58922000 Y=0.39901000 Z=0.42772000
      -1: X=0.91078000 Y=0.10099000 Z=0.42772000
      -1: X=0.08922000 Y=0.89901000 Z=0.57228000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39257000 Y=0.10279000 Z=0.02343000
          MULT= 8          ISPLIT=15
      -3: X=0.60743000 Y=0.89721000 Z=0.97657000
      -3: X=0.89257000 Y=0.60279000 Z=0.97657000
      -3: X=0.10743000 Y=0.39721000 Z=0.02343000
      -3: X=0.10743000 Y=0.10279000 Z=0.52343000
      -3: X=0.89257000 Y=0.89721000 Z=0.47657000
      -3: X=0.60743000 Y=0.60279000 Z=0.47657000
      -3: X=0.39257000 Y=0.39721000 Z=0.52343000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.63067000 Y=0.35817000 Z=0.10505000
          MULT= 8          ISPLIT=15
      -4: X=0.36933000 Y=0.64183000 Z=0.89495000
      -4: X=0.13067000 Y=0.85817000 Z=0.89495000
      -4: X=0.86933000 Y=0.14183000 Z=0.10505000
      -4: X=0.86933000 Y=0.35817000 Z=0.60505000
      -4: X=0.13067000 Y=0.64183000 Z=0.39495000
      -4: X=0.36933000 Y=0.85817000 Z=0.39495000
      -4: X=0.63067000 Y=0.14183000 Z=0.60505000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09035000 Y=0.34178000 Z=0.37394000
          MULT= 8          ISPLIT=15
      -5: X=0.90965000 Y=0.65822000 Z=0.62606000
      -5: X=0.59035000 Y=0.84178000 Z=0.62606000
      -5: X=0.40965000 Y=0.15822000 Z=0.37394000
      -5: X=0.40965000 Y=0.34178000 Z=0.87394000
      -5: X=0.59035000 Y=0.65822000 Z=0.12606000
      -5: X=0.90965000 Y=0.84178000 Z=0.12606000
      -5: X=0.09035000 Y=0.15822000 Z=0.87394000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15425000 Y=0.02810000 Z=0.16512000
          MULT= 8          ISPLIT=15
      -6: X=0.84575000 Y=0.97190000 Z=0.83488000
      -6: X=0.65425000 Y=0.52810000 Z=0.83488000
      -6: X=0.34575000 Y=0.47190000 Z=0.16512000
      -6: X=0.34575000 Y=0.02810000 Z=0.66512000
      -6: X=0.65425000 Y=0.97190000 Z=0.33488000
      -6: X=0.84575000 Y=0.52810000 Z=0.33488000
      -6: X=0.15425000 Y=0.47190000 Z=0.66512000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000