P   LATTICE,NONEQUIV.ATOMS   6   54 Pcca                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.861357 10.924507 19.883698 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.39600000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.60400000 Z=0.75000000
      -1: X=0.50000000 Y=0.39600000 Z=0.75000000
      -1: X=0.50000000 Y=0.60400000 Z=0.25000000
Nb         NPT=  781  R0=.000010000 RMT= 1.78        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.03480000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.96520000
      -2: X=0.25000000 Y=0.00000000 Z=0.53480000
      -2: X=0.75000000 Y=0.00000000 Z=0.46520000
Cl         NPT=  781  R0=.000100000 RMT= 1.44        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  -3: X=0.38770000 Y=0.38130000 Z=0.18320000
          MULT= 8          ISPLIT= 8
      -3: X=0.61230000 Y=0.61870000 Z=0.81680000
      -3: X=0.88770000 Y=0.38130000 Z=0.81680000
      -3: X=0.11230000 Y=0.61870000 Z=0.18320000
      -3: X=0.11230000 Y=0.38130000 Z=0.68320000
      -3: X=0.88770000 Y=0.61870000 Z=0.31680000
      -3: X=0.61230000 Y=0.38130000 Z=0.31680000
      -3: X=0.38770000 Y=0.61870000 Z=0.68320000
F          NPT=  781  R0=.000100000 RMT= 1.51        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11180000 Y=0.15140000 Z=0.17860000
          MULT= 8          ISPLIT= 8
      -4: X=0.88820000 Y=0.84860000 Z=0.82140000
      -4: X=0.61180000 Y=0.15140000 Z=0.82140000
      -4: X=0.38820000 Y=0.84860000 Z=0.17860000
      -4: X=0.38820000 Y=0.15140000 Z=0.67860000
      -4: X=0.61180000 Y=0.84860000 Z=0.32140000
      -4: X=0.88820000 Y=0.15140000 Z=0.32140000
      -4: X=0.11180000 Y=0.84860000 Z=0.67860000
F          NPT=  781  R0=.000100000 RMT= 1.51        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10230000 Y=0.37250000 Z=0.39770000
          MULT= 8          ISPLIT= 8
      -5: X=0.89770000 Y=0.62750000 Z=0.60230000
      -5: X=0.60230000 Y=0.37250000 Z=0.60230000
      -5: X=0.39770000 Y=0.62750000 Z=0.39770000
      -5: X=0.39770000 Y=0.37250000 Z=0.89770000
      -5: X=0.60230000 Y=0.62750000 Z=0.10230000
      -5: X=0.89770000 Y=0.37250000 Z=0.10230000
      -5: X=0.10230000 Y=0.62750000 Z=0.89770000
F          NPT=  781  R0=.000100000 RMT= 1.51        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.34840000 Y=0.11110000 Z=0.43540000
          MULT= 8          ISPLIT= 8
      -6: X=0.65160000 Y=0.88890000 Z=0.56460000
      -6: X=0.84840000 Y=0.11110000 Z=0.56460000
      -6: X=0.15160000 Y=0.88890000 Z=0.43540000
      -6: X=0.15160000 Y=0.11110000 Z=0.93540000
      -6: X=0.84840000 Y=0.88890000 Z=0.06460000
      -6: X=0.65160000 Y=0.11110000 Z=0.06460000
      -6: X=0.34840000 Y=0.88890000 Z=0.93540000
F          NPT=  781  R0=.000100000 RMT= 1.51        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000