P   LATTICE,NONEQUIV.ATOMS   6   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.594020 11.799450 15.796221 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.19200000 Y=0.48300000 Z=0.27400000
          MULT= 4          ISPLIT= 8
      -1: X=0.80800000 Y=0.51700000 Z=0.77400000
      -1: X=0.30800000 Y=0.48300000 Z=0.77400000
      -1: X=0.69200000 Y=0.51700000 Z=0.27400000
Rb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.01100000 Z=0.03600000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.98900000 Z=0.53600000
      -2: X=0.00000000 Y=0.01100000 Z=0.53600000
      -2: X=0.00000000 Y=0.98900000 Z=0.03600000
Tl         NPT=  781  R0=.000005000 RMT= 2.01        Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23000000 Y=0.14000000 Z=0.02000000
          MULT= 4          ISPLIT= 8
      -3: X=0.77000000 Y=0.86000000 Z=0.52000000
      -3: X=0.27000000 Y=0.14000000 Z=0.52000000
      -3: X=0.73000000 Y=0.86000000 Z=0.02000000
F          NPT=  781  R0=.000100000 RMT= 1.73        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=0.51000000 Y=0.12000000 Z=0.26000000
          MULT= 4          ISPLIT= 8
      -4: X=0.49000000 Y=0.88000000 Z=0.76000000
      -4: X=0.99000000 Y=0.12000000 Z=0.76000000
      -4: X=0.01000000 Y=0.88000000 Z=0.26000000
F          NPT=  781  R0=.000100000 RMT= 1.73        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=0.43000000 Y=0.70000000 Z=0.46000000
          MULT= 4          ISPLIT= 8
      -5: X=0.57000000 Y=0.30000000 Z=0.96000000
      -5: X=0.07000000 Y=0.70000000 Z=0.96000000
      -5: X=0.93000000 Y=0.30000000 Z=0.46000000
F          NPT=  781  R0=.000100000 RMT= 1.73        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=0.41000000 Y=0.71000000 Z=0.03000000
          MULT= 4          ISPLIT= 8
      -6: X=0.59000000 Y=0.29000000 Z=0.53000000
      -6: X=0.09000000 Y=0.71000000 Z=0.53000000
      -6: X=0.91000000 Y=0.29000000 Z=0.03000000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000