P   LATTICE,NONEQUIV.ATOMS   4   84 P42/m   
MODE OF CALC=RELA unit=bohr
 13.001316 13.001316 18.713958 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
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=0.06290000 Y=0.64900000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.93710000 Y=0.35100000 Z=0.00000000
      -2: X=0.35100000 Y=0.06290000 Z=0.50000000
      -2: X=0.64900000 Y=0.93710000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.17790000 Y=0.17610000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.82210000 Y=0.82390000 Z=0.00000000
      -3: X=0.82390000 Y=0.17790000 Z=0.50000000
      -3: X=0.17610000 Y=0.82210000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.32550000 Y=0.21990000 Z=0.33000000
          MULT= 8          ISPLIT=15
      -4: X=0.67450000 Y=0.78010000 Z=0.67000000
      -4: X=0.78010000 Y=0.32550000 Z=0.83000000
      -4: X=0.21990000 Y=0.67450000 Z=0.17000000
      -4: X=0.67450000 Y=0.78010000 Z=0.33000000
      -4: X=0.32550000 Y=0.21990000 Z=0.67000000
      -4: X=0.21990000 Y=0.67450000 Z=0.83000000
      -4: X=0.78010000 Y=0.32550000 Z=0.17000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000