R   LATTICE,NONEQUIV.ATOMS   6  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.015927 10.015927 36.349070 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.48        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21270000 Y=0.21270000 Z=0.21270000
          MULT= 2          ISPLIT= 4
      -2: X=0.78730000 Y=0.78730000 Z=0.78730000
Ba         NPT=  781  R0=.000010000 RMT= 2.48        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Si         NPT=  781  R0=.000100000 RMT= 1.46        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36960000 Y=0.36960000 Z=0.36960000
          MULT= 2          ISPLIT= 4
      -4: X=0.63040000 Y=0.63040000 Z=0.63040000
Si         NPT=  781  R0=.000100000 RMT= 1.46        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.50000000
      -5: X=0.00000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.69790000 Y=0.27311000 Z=0.69790000
          MULT= 6          ISPLIT= 8
      -6: X=0.30210000 Y=0.72689000 Z=0.30210000
      -6: X=0.27311000 Y=0.69790000 Z=0.69790000
      -6: X=0.72689000 Y=0.30210000 Z=0.30210000
      -6: X=0.69790000 Y=0.69790000 Z=0.27311000
      -6: X=0.30210000 Y=0.30210000 Z=0.72689000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000