CXY LATTICE,NONEQUIV.ATOMS   9   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.299153 43.711255 28.946825 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.14887000 Z=0.00924000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.85113000 Z=0.99076000
      -1: X=0.00000000 Y=0.14887000 Z=0.49076000
      -1: X=0.00000000 Y=0.85113000 Z=0.50924000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.49004000 Z=0.15826000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50996000 Z=0.84174000
      -2: X=0.00000000 Y=0.49004000 Z=0.34174000
      -2: X=0.00000000 Y=0.50996000 Z=0.65826000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.29225000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.70775000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.27482000 Z=0.61824000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.72518000 Z=0.38176000
      -4: X=0.00000000 Y=0.27482000 Z=0.88176000
      -4: X=0.00000000 Y=0.72518000 Z=0.11824000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.09537000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.90463000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.89916000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.10084000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.00000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.36645000 Z=0.08940000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.63355000 Z=0.91060000
      -8: X=0.00000000 Y=0.36645000 Z=0.41060000
      -8: X=0.00000000 Y=0.63355000 Z=0.58940000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.65020000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.34980000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000