B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.682854 11.682854 19.219271 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Sr         NPT=  781  R0=.000010000 RMT= 2.44        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.04        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27310000 Y=0.11250000 Z=0.07330000
          MULT= 8          ISPLIT= 8
      -3: X=0.72690000 Y=0.88750000 Z=0.92670000
      -3: X=0.13750000 Y=0.02310000 Z=0.82330000
      -3: X=0.36250000 Y=0.47690000 Z=0.67670000
      -3: X=0.72690000 Y=0.38750000 Z=0.07330000
      -3: X=0.27310000 Y=0.61250000 Z=0.92670000
      -3: X=0.36250000 Y=0.97690000 Z=0.32330000
      -3: X=0.13750000 Y=0.52310000 Z=0.17670000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000