CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b    
MODE OF CALC=RELA unit=bohr
 30.090109 21.760196 18.150820 90.000000 90.000000 87.710000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.57590000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.42410000
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  -2: X=0.00000000 Y=0.25000000 Z=0.20980000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.79020000
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=0.87320000 Y=0.51510000 Z=0.23110000
          MULT= 4          ISPLIT=15
      -3: X=0.12680000 Y=0.48490000 Z=0.76890000
      -3: X=0.12680000 Y=0.98490000 Z=0.23110000
      -3: X=0.87320000 Y=0.01510000 Z=0.76890000
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=0.70300000 Y=0.08440000 Z=0.10270000
          MULT= 4          ISPLIT=15
      -4: X=0.29700000 Y=0.91560000 Z=0.89730000
      -4: X=0.29700000 Y=0.41560000 Z=0.10270000
      -4: X=0.70300000 Y=0.58440000 Z=0.89730000
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=0.79700000 Y=0.13390000 Z=0.31730000
          MULT= 4          ISPLIT=15
      -5: X=0.20300000 Y=0.86610000 Z=0.68270000
      -5: X=0.20300000 Y=0.36610000 Z=0.31730000
      -5: X=0.79700000 Y=0.63390000 Z=0.68270000
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  -6: X=0.65560000 Y=0.03210000 Z=0.35430000
          MULT= 4          ISPLIT=15
      -6: X=0.34440000 Y=0.96790000 Z=0.64570000
      -6: X=0.34440000 Y=0.46790000 Z=0.35430000
      -6: X=0.65560000 Y=0.53210000 Z=0.64570000
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  -7: X=0.83600000 Y=0.17030000 Z=0.08130000
          MULT= 4          ISPLIT=15
      -7: X=0.16400000 Y=0.82970000 Z=0.91870000
      -7: X=0.16400000 Y=0.32970000 Z=0.08130000
      -7: X=0.83600000 Y=0.67030000 Z=0.91870000
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  -8: X=0.92380000 Y=0.01750000 Z=0.34840000
          MULT= 4          ISPLIT=15
      -8: X=0.07620000 Y=0.98250000 Z=0.65160000
      -8: X=0.07620000 Y=0.48250000 Z=0.34840000
      -8: X=0.92380000 Y=0.51750000 Z=0.65160000
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  -9: X=0.66370000 Y=0.22850000 Z=0.27180000
          MULT= 4          ISPLIT=15
      -9: X=0.33630000 Y=0.77150000 Z=0.72820000
      -9: X=0.33630000 Y=0.27150000 Z=0.27180000
      -9: X=0.66370000 Y=0.72850000 Z=0.72820000
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 -10: X=0.74900000 Y=0.42700000 Z=0.04320000
          MULT= 4          ISPLIT=15
     -10: X=0.25100000 Y=0.57300000 Z=0.95680000
     -10: X=0.25100000 Y=0.07300000 Z=0.04320000
     -10: X=0.74900000 Y=0.92700000 Z=0.95680000
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 -11: X=0.86320000 Y=0.31040000 Z=0.40160000
          MULT= 4          ISPLIT=15
     -11: X=0.13680000 Y=0.68960000 Z=0.59840000
     -11: X=0.13680000 Y=0.18960000 Z=0.40160000
     -11: X=0.86320000 Y=0.81040000 Z=0.59840000
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 -12: X=0.52920000 Y=0.07930000 Z=0.48990000
          MULT= 4          ISPLIT=15
     -12: X=0.47080000 Y=0.92070000 Z=0.51010000
     -12: X=0.47080000 Y=0.42070000 Z=0.48990000
     -12: X=0.52920000 Y=0.57930000 Z=0.51010000
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