CXZ LATTICE,NONEQUIV.ATOMS   9   15 B2/b    
MODE OF CALC=RELA unit=bohr
 22.620022 21.618467 24.339673 90.000000 90.000000 72.170000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.72420000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.27580000
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  -2: X=0.57710000 Y=0.12070000 Z=0.17480000
          MULT= 4          ISPLIT=15
      -2: X=0.42290000 Y=0.87930000 Z=0.82520000
      -2: X=0.42290000 Y=0.37930000 Z=0.17480000
      -2: X=0.57710000 Y=0.62070000 Z=0.82520000
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  -3: X=0.58210000 Y=0.10610000 Z=0.02120000
          MULT= 4          ISPLIT=15
      -3: X=0.41790000 Y=0.89390000 Z=0.97880000
      -3: X=0.41790000 Y=0.39390000 Z=0.02120000
      -3: X=0.58210000 Y=0.60610000 Z=0.97880000
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=0.90009000 Y=0.21851000 Z=0.17293000
          MULT= 4          ISPLIT=15
      -4: X=0.09991000 Y=0.78149000 Z=0.82707000
      -4: X=0.09991000 Y=0.28149000 Z=0.17293000
      -4: X=0.90009000 Y=0.71851000 Z=0.82707000
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=0.80630000 Y=0.19010000 Z=0.32290000
          MULT= 4          ISPLIT=15
      -5: X=0.19370000 Y=0.80990000 Z=0.67710000
      -5: X=0.19370000 Y=0.30990000 Z=0.32290000
      -5: X=0.80630000 Y=0.69010000 Z=0.67710000
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  -6: X=0.87880000 Y=0.04260000 Z=0.10170000
          MULT= 4          ISPLIT=15
      -6: X=0.12120000 Y=0.95740000 Z=0.89830000
      -6: X=0.12120000 Y=0.45740000 Z=0.10170000
      -6: X=0.87880000 Y=0.54260000 Z=0.89830000
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  -7: X=0.72770000 Y=0.33450000 Z=0.09950000
          MULT= 4          ISPLIT=15
      -7: X=0.27230000 Y=0.66550000 Z=0.90050000
      -7: X=0.27230000 Y=0.16550000 Z=0.09950000
      -7: X=0.72770000 Y=0.83450000 Z=0.90050000
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  -8: X=0.91760000 Y=0.40630000 Z=0.24780000
          MULT= 4          ISPLIT=15
      -8: X=0.08240000 Y=0.59370000 Z=0.75220000
      -8: X=0.08240000 Y=0.09370000 Z=0.24780000
      -8: X=0.91760000 Y=0.90630000 Z=0.75220000
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  -9: X=0.00000000 Y=0.25000000 Z=0.01820000
          MULT= 2          ISPLIT=15
      -9: X=0.00000000 Y=0.75000000 Z=0.98180000
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