R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 25.787202 25.787202 11.049223 90.000000 90.000000120.000000
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=15
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  46.00000
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  46.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27800000 Y=0.44100000 Z=0.95000000
          MULT= 6          ISPLIT=15
      -3: X=0.72200000 Y=0.55900000 Z=0.05000000
      -3: X=0.44100000 Y=0.95000000 Z=0.27800000
      -3: X=0.55900000 Y=0.05000000 Z=0.72200000
      -3: X=0.95000000 Y=0.27800000 Z=0.44100000
      -3: X=0.05000000 Y=0.72200000 Z=0.55900000
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  46.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.47400000 Y=0.21800000 Z=0.09700000
          MULT= 6          ISPLIT=15
      -4: X=0.52600000 Y=0.78200000 Z=0.90300000
      -4: X=0.21800000 Y=0.09700000 Z=0.47400000
      -4: X=0.78200000 Y=0.90300000 Z=0.52600000
      -4: X=0.09700000 Y=0.47400000 Z=0.21800000
      -4: X=0.90300000 Y=0.52600000 Z=0.78200000
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