B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.379957 16.379957 30.156250 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Sr         NPT=  781  R0=.000010000 RMT= 2.33        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=0.16160000 Y=0.66160000 Z=0.15040000
          MULT= 8          ISPLIT= 8
      -2: X=0.83840000 Y=0.33840000 Z=0.84960000
      -2: X=0.33840000 Y=0.16160000 Z=0.15040000
      -2: X=0.66160000 Y=0.83840000 Z=0.84960000
      -2: X=0.83840000 Y=0.33840000 Z=0.15040000
      -2: X=0.16160000 Y=0.66160000 Z=0.84960000
      -2: X=0.66160000 Y=0.83840000 Z=0.15040000
      -2: X=0.33840000 Y=0.16160000 Z=0.84960000
Sr         NPT=  781  R0=.000010000 RMT= 2.33        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.62670000 Y=0.12670000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.37330000 Y=0.87330000 Z=0.00000000
      -4: X=0.87330000 Y=0.62670000 Z=0.00000000
      -4: X=0.12670000 Y=0.37330000 Z=0.00000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.50000000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.44        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000