P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 15.357804 15.357804  7.978424 90.000000 90.000000 90.000000
ATOM  -1: X=0.11600000 Y=0.61600000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.88400000 Y=0.38400000 Z=0.00000000
      -1: X=0.38400000 Y=0.11600000 Z=0.00000000
      -1: X=0.61600000 Y=0.88400000 Z=0.00000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
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=0.67400000 Y=0.17400000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -3: X=0.32600000 Y=0.82600000 Z=0.50000000
      -3: X=0.82600000 Y=0.67400000 Z=0.50000000
      -3: X=0.17400000 Y=0.32600000 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