R   LATTICE,NONEQUIV.ATOMS   7  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 20.303219 20.303219 55.574956 90.000000 90.000000120.000000                   
ATOM  -1: X=0.22324000 Y=0.22324000 Z=0.22324000
          MULT= 2          ISPLIT= 4
      -1: X=0.77676000 Y=0.77676000 Z=0.77676000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34805000 Y=0.92548000 Z=0.06049000
          MULT= 6          ISPLIT= 8
      -2: X=0.65195000 Y=0.07452000 Z=0.93951000
      -2: X=0.92548000 Y=0.06049000 Z=0.34805000
      -2: X=0.07452000 Y=0.93951000 Z=0.65195000
      -2: X=0.06049000 Y=0.34805000 Z=0.92548000
      -2: X=0.93951000 Y=0.65195000 Z=0.07452000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.57706000 Y=0.13570000 Z=0.28645000
          MULT= 6          ISPLIT= 8
      -3: X=0.42294000 Y=0.86430000 Z=0.71355000
      -3: X=0.13570000 Y=0.28645000 Z=0.57706000
      -3: X=0.86430000 Y=0.71355000 Z=0.42294000
      -3: X=0.28645000 Y=0.57706000 Z=0.13570000
      -3: X=0.71355000 Y=0.42294000 Z=0.86430000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35421000 Y=0.52077000 Z=0.79687000
          MULT= 6          ISPLIT= 8
      -4: X=0.64579000 Y=0.47923000 Z=0.20313000
      -4: X=0.52077000 Y=0.79687000 Z=0.35421000
      -4: X=0.47923000 Y=0.20313000 Z=0.64579000
      -4: X=0.79687000 Y=0.35421000 Z=0.52077000
      -4: X=0.20313000 Y=0.64579000 Z=0.47923000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19528000 Y=0.08656000 Z=0.85271000
          MULT= 6          ISPLIT= 8
      -5: X=0.80472000 Y=0.91344000 Z=0.14729000
      -5: X=0.08656000 Y=0.85271000 Z=0.19528000
      -5: X=0.91344000 Y=0.14729000 Z=0.80472000
      -5: X=0.85271000 Y=0.19528000 Z=0.08656000
      -5: X=0.14729000 Y=0.80472000 Z=0.91344000
Zr         NPT=  781  R0=.000010000 RMT= 2.37        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 2.37        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.94        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000