P   LATTICE,NONEQUIV.ATOMS   5  129 P4/nmm  
MODE OF CALC=RELA unit=bohr
  8.126389  8.126389 19.649372 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.75100000
          MULT= 2          ISPLIT=15
      -1: X=0.75000000 Y=0.75000000 Z=0.24900000
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=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -2: X=0.25000000 Y=0.75000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
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=0.12500000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.75000000 Z=0.87500000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.25000000 Y=0.75000000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.25000000 Z=0.37000000
          MULT= 2          ISPLIT=15
      -5: X=0.75000000 Y=0.75000000 Z=0.63000000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000