P   LATTICE,NONEQUIV.ATOMS   4   54 Pcca                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.323885 10.879153 12.740534 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.31580000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.50000000 Z=0.68420000
      -1: X=0.25000000 Y=0.50000000 Z=0.81580000
      -1: X=0.75000000 Y=0.50000000 Z=0.18420000
Au         NPT=  781  R0=.000005000 RMT= 2.46        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.06180000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.93820000
      -2: X=0.25000000 Y=0.00000000 Z=0.56180000
      -2: X=0.75000000 Y=0.00000000 Z=0.43820000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.27800000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.72200000 Z=0.75000000
      -3: X=0.50000000 Y=0.27800000 Z=0.75000000
      -3: X=0.50000000 Y=0.72200000 Z=0.25000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36420000 Y=0.20400000 Z=0.31200000
          MULT= 8          ISPLIT= 8
      -4: X=0.63580000 Y=0.79600000 Z=0.68800000
      -4: X=0.86420000 Y=0.20400000 Z=0.68800000
      -4: X=0.13580000 Y=0.79600000 Z=0.31200000
      -4: X=0.13580000 Y=0.20400000 Z=0.81200000
      -4: X=0.86420000 Y=0.79600000 Z=0.18800000
      -4: X=0.63580000 Y=0.20400000 Z=0.18800000
      -4: X=0.36420000 Y=0.79600000 Z=0.81200000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000