P   LATTICE,NONEQUIV.ATOMS   3  129 P4/nmm  
MODE OF CALC=RELA unit=bohr
  8.201411  8.201411 17.290994 90.000000 90.000000 90.000000
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.25000000 Y=0.75000000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.27500000
          MULT= 2          ISPLIT=15
      -2: X=0.75000000 Y=0.75000000 Z=0.72500000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.63700000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.75000000 Z=0.36300000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000