P   LATTICE,NONEQUIV.ATOMS   6  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 16.026767 16.026767 11.181510 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20500000 Y=0.70500000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -2: X=0.79500000 Y=0.29500000 Z=0.50000000
      -2: X=0.29500000 Y=0.20500000 Z=0.50000000
      -2: X=0.70500000 Y=0.79500000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.50000000 Y=0.00000000 Z=0.00000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.15500000 Y=0.65500000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -5: X=0.84500000 Y=0.34500000 Z=0.00000000
      -5: X=0.34500000 Y=0.15500000 Z=0.00000000
      -5: X=0.65500000 Y=0.84500000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.61000000 Y=0.11000000 Z=0.21600000
          MULT= 8          ISPLIT=15
      -6: X=0.39000000 Y=0.89000000 Z=0.78400000
      -6: X=0.89000000 Y=0.61000000 Z=0.21600000
      -6: X=0.11000000 Y=0.39000000 Z=0.78400000
      -6: X=0.39000000 Y=0.89000000 Z=0.21600000
      -6: X=0.61000000 Y=0.11000000 Z=0.78400000
      -6: X=0.11000000 Y=0.39000000 Z=0.21600000
      -6: X=0.89000000 Y=0.61000000 Z=0.78400000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000