CXZ LATTICE,NONEQUIV.ATOMS   8    9 Bb      
MODE OF CALC=RELA unit=bohr
 20.603684 16.901711 11.379931 90.000000 90.000000 64.430000
ATOM  -1: X=0.65740000 Y=0.38810000 Z=0.35830000
          MULT= 2          ISPLIT=15
      -1: X=0.65740000 Y=0.88810000 Z=0.64170000
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  -2: X=0.85560000 Y=0.00260000 Z=0.32830000
          MULT= 2          ISPLIT=15
      -2: X=0.85560000 Y=0.50260000 Z=0.67170000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.96150000 Y=0.27220000 Z=0.17530000
          MULT= 2          ISPLIT=15
      -3: X=0.96150000 Y=0.77220000 Z=0.82470000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.76850000 Y=0.66970000 Z=0.15950000
          MULT= 2          ISPLIT=15
      -4: X=0.76850000 Y=0.16970000 Z=0.84050000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.54900000 Y=0.10370000 Z=0.15920000
          MULT= 2          ISPLIT=15
      -5: X=0.54900000 Y=0.60370000 Z=0.84080000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.81650000 Y=0.28290000 Z=0.50200000
          MULT= 2          ISPLIT=15
      -6: X=0.81650000 Y=0.78290000 Z=0.49800000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00090000
          MULT= 2          ISPLIT=15
      -7: X=0.00000000 Y=0.50000000 Z=0.99910000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.62150000 Y=0.31770000 Z=0.09180000
          MULT= 2          ISPLIT=15
      -8: X=0.62150000 Y=0.81770000 Z=0.90820000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000