B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.801220 17.801220 17.801220 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.26000000 Y=0.26000000 Z=0.26000000
          MULT= 4          ISPLIT= 4
      -1: X=0.74000000 Y=0.74000000 Z=0.26000000
      -1: X=0.26000000 Y=0.74000000 Z=0.74000000
      -1: X=0.74000000 Y=0.26000000 Z=0.74000000
Sr         NPT=  781  R0=.000010000 RMT= 2.15        Z:  38.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.50000000
      -2: X=0.00000000 Y=0.75000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.64        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   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
W          NPT=  781  R0=.000005000 RMT= 1.98        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12000000 Y=0.12000000 Z=0.12000000
          MULT= 4          ISPLIT= 4
      -4: X=0.88000000 Y=0.88000000 Z=0.12000000
      -4: X=0.12000000 Y=0.88000000 Z=0.88000000
      -4: X=0.88000000 Y=0.12000000 Z=0.88000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -5: X=0.05000000 Y=0.36000000 Z=0.36000000
          MULT=12          ISPLIT= 8
      -5: X=0.95000000 Y=0.64000000 Z=0.36000000
      -5: X=0.05000000 Y=0.64000000 Z=0.64000000
      -5: X=0.36000000 Y=0.05000000 Z=0.36000000
      -5: X=0.95000000 Y=0.36000000 Z=0.64000000
      -5: X=0.64000000 Y=0.95000000 Z=0.36000000
      -5: X=0.36000000 Y=0.95000000 Z=0.64000000
      -5: X=0.64000000 Y=0.05000000 Z=0.64000000
      -5: X=0.36000000 Y=0.36000000 Z=0.05000000
      -5: X=0.64000000 Y=0.64000000 Z=0.05000000
      -5: X=0.36000000 Y=0.64000000 Z=0.95000000
      -5: X=0.64000000 Y=0.36000000 Z=0.95000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:   -1.0000000 0.0000000 0.0000000
                     0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068