P   LATTICE,NONEQUIV.ATOMS   2  131 P42/mmc 
MODE OF CALC=RELA unit=bohr
  8.002990  8.002990 10.219639 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
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  -2: X=0.32300000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.67700000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.32300000 Z=0.50000000
      -2: X=0.00000000 Y=0.67700000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000