CXZ LATTICE,NONEQUIV.ATOMS  10   15 B2/b    
MODE OF CALC=RELA unit=bohr
 33.351777 10.145562 22.946944 90.000000 90.000000 74.244000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.12625000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.87375000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
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=0.35492000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.64508000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.65647000 Y=0.10186000 Z=0.38910000
          MULT= 4          ISPLIT=15
      -3: X=0.34353000 Y=0.89814000 Z=0.61090000
      -3: X=0.34353000 Y=0.39814000 Z=0.38910000
      -3: X=0.65647000 Y=0.60186000 Z=0.61090000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.83370000 Y=0.42280000 Z=0.37765000
          MULT= 4          ISPLIT=15
      -4: X=0.16630000 Y=0.57720000 Z=0.62235000
      -4: X=0.16630000 Y=0.07720000 Z=0.37765000
      -4: X=0.83370000 Y=0.92280000 Z=0.62235000
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  -5: X=0.92610000 Y=0.65140000 Z=0.03890000
          MULT= 4          ISPLIT=15
      -5: X=0.07390000 Y=0.34860000 Z=0.96110000
      -5: X=0.07390000 Y=0.84860000 Z=0.03890000
      -5: X=0.92610000 Y=0.15140000 Z=0.96110000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.57410000 Y=0.06800000 Z=0.06260000
          MULT= 4          ISPLIT=15
      -6: X=0.42590000 Y=0.93200000 Z=0.93740000
      -6: X=0.42590000 Y=0.43200000 Z=0.06260000
      -6: X=0.57410000 Y=0.56800000 Z=0.93740000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.77520000 Y=0.10650000 Z=0.02800000
          MULT= 4          ISPLIT=15
      -7: X=0.22480000 Y=0.89350000 Z=0.97200000
      -7: X=0.22480000 Y=0.39350000 Z=0.02800000
      -7: X=0.77520000 Y=0.60650000 Z=0.97200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.70620000 Y=0.25050000 Z=0.30080000
          MULT= 4          ISPLIT=15
      -8: X=0.29380000 Y=0.74950000 Z=0.69920000
      -8: X=0.29380000 Y=0.24950000 Z=0.30080000
      -8: X=0.70620000 Y=0.75050000 Z=0.69920000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.45760000 Y=0.04050000 Z=0.22900000
          MULT= 4          ISPLIT=15
      -9: X=0.54240000 Y=0.95950000 Z=0.77100000
      -9: X=0.54240000 Y=0.45950000 Z=0.22900000
      -9: X=0.45760000 Y=0.54050000 Z=0.77100000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.89050000 Y=0.10130000 Z=0.18790000
          MULT= 4          ISPLIT=15
     -10: X=0.10950000 Y=0.89870000 Z=0.81210000
     -10: X=0.10950000 Y=0.39870000 Z=0.18790000
     -10: X=0.89050000 Y=0.60130000 Z=0.81210000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000