B   LATTICE,NONEQUIV.ATOMS   9   71 Immm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.117551 24.688705 34.279632 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.19313000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.80687000 Z=0.00000000
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.33536000 Z=0.19115000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.66464000 Z=0.80885000
      -2: X=0.00000000 Y=0.33536000 Z=0.80885000
      -2: X=0.00000000 Y=0.66464000 Z=0.19115000
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
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=0.00000000 Z=0.15777000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.84223000
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
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=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.15661000 Z=0.43136000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.84339000 Z=0.56864000
      -6: X=0.00000000 Y=0.15661000 Z=0.56864000
      -6: X=0.00000000 Y=0.84339000 Z=0.43136000
Al         NPT=  781  R0=.000100000 RMT= 2.34        Z:  13.00000              
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=0.00000000 Z=0.35704000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.00000000 Z=0.64296000
Si         NPT=  781  R0=.000100000 RMT= 2.11        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  -8: X=0.00000000 Y=0.32098000 Z=0.36867000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.67902000 Z=0.63133000
      -8: X=0.00000000 Y=0.32098000 Z=0.63133000
      -8: X=0.00000000 Y=0.67902000 Z=0.36867000
Si         NPT=  781  R0=.000100000 RMT= 2.11        Z:  14.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 2.27        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000