CXY LATTICE,NONEQUIV.ATOMS   9   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.135271 35.844325 24.630690 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.11331000 Z=0.68676000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.88669000 Z=0.18676000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.00000000 Y=0.12799000 Z=0.30785000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.87201000 Z=0.80785000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.00000000 Y=0.22047000 Z=0.02257000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.77953000 Z=0.52257000
Sb         NPT=  781  R0=.000010000 RMT= 2.49        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  -4: X=0.00000000 Y=0.43887000 Z=0.44873000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.56113000 Z=0.94873000
In         NPT=  781  R0=.000010000 RMT= 2.45        Z:  49.00000              
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=0.04419000 Z=0.05867000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.95581000 Z=0.55867000
Se         NPT=  781  R0=.000050000 RMT= 2.33        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.28344000 Z=0.66424000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.71656000 Z=0.16424000
Se         NPT=  781  R0=.000050000 RMT= 2.33        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.30990000 Z=0.36941000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.69010000 Z=0.86941000
Se         NPT=  781  R0=.000050000 RMT= 2.33        Z:  34.00000              
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=0.64391000 Z=0.49996000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.35609000 Z=0.99996000
Se         NPT=  781  R0=.000050000 RMT= 2.33        Z:  34.00000              
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=0.50184000 Z=0.27665000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.49816000 Z=0.77665000
Se         NPT=  781  R0=.000050000 RMT= 2.33        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000