P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.664971 11.995226 11.348183 90.000000 90.000000 98.709000                   
ATOM  -1: X=0.38330000 Y=0.08444000 Z=0.56652000
          MULT= 4          ISPLIT= 8
      -1: X=0.61670000 Y=0.91556000 Z=0.43348000
      -1: X=0.11670000 Y=0.41556000 Z=0.06652000
      -1: X=0.88330000 Y=0.58444000 Z=0.93348000
S          NPT=  781  R0=.000100000 RMT= 1.54        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  -2: X=0.05059000 Y=0.16932000 Z=0.08351000
          MULT= 4          ISPLIT= 8
      -2: X=0.94941000 Y=0.83068000 Z=0.91649000
      -2: X=0.44941000 Y=0.33068000 Z=0.58351000
      -2: X=0.55059000 Y=0.66932000 Z=0.41649000
C          NPT=  781  R0=.000100000 RMT= 1.46        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02361000 Y=0.25231000 Z=0.36076000
          MULT= 4          ISPLIT= 8
      -3: X=0.97639000 Y=0.74769000 Z=0.63924000
      -3: X=0.47639000 Y=0.24769000 Z=0.86076000
      -3: X=0.52361000 Y=0.75231000 Z=0.13924000
Cl         NPT=  781  R0=.000100000 RMT= 1.75        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=0.33401000 Y=0.62182000 Z=0.44827000
          MULT= 4          ISPLIT= 8
      -4: X=0.66599000 Y=0.37818000 Z=0.55173000
      -4: X=0.16599000 Y=0.87818000 Z=0.94827000
      -4: X=0.83401000 Y=0.12182000 Z=0.05173000
Cl         NPT=  781  R0=.000100000 RMT= 1.75        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000