B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 24.044875 24.044875 11.886377 90.000000 90.000000 90.000000
ATOM  -1: X=0.08500000 Y=0.21500000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -1: X=0.91500000 Y=0.78500000 Z=0.00000000
      -1: X=0.78500000 Y=0.08500000 Z=0.00000000
      -1: X=0.21500000 Y=0.91500000 Z=0.00000000
      -1: X=0.91500000 Y=0.21500000 Z=0.50000000
      -1: X=0.08500000 Y=0.78500000 Z=0.50000000
      -1: X=0.78500000 Y=0.91500000 Z=0.50000000
      -1: X=0.21500000 Y=0.08500000 Z=0.50000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16000000 Y=0.66000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.84000000 Y=0.34000000 Z=0.00000000
      -3: X=0.34000000 Y=0.16000000 Z=0.00000000
      -3: X=0.66000000 Y=0.84000000 Z=0.00000000
Sn         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  50.00000
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=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  50.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000