CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.588798 14.099247 14.984961 90.000000 90.000000 57.850000                   
ATOM  -1: X=0.78505000 Y=0.25770000 Z=0.22081000
          MULT= 4          ISPLIT= 8
      -1: X=0.21495000 Y=0.74230000 Z=0.77919000
      -1: X=0.21495000 Y=0.24230000 Z=0.22081000
      -1: X=0.78505000 Y=0.75770000 Z=0.77919000
Mo         NPT=  781  R0=.000010000 RMT= 1.65        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  -2: X=0.00000000 Y=0.25000000 Z=0.51766000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.48234000
Zr         NPT=  781  R0=.000010000 RMT= 2.09        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.90738000 Y=0.07690000 Z=0.38530000
          MULT= 4          ISPLIT= 8
      -3: X=0.09262000 Y=0.92310000 Z=0.61470000
      -3: X=0.09262000 Y=0.42310000 Z=0.38530000
      -3: X=0.90738000 Y=0.57690000 Z=0.61470000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -4: X=0.84642000 Y=0.43830000 Z=0.33680000
          MULT= 4          ISPLIT= 8
      -4: X=0.15358000 Y=0.56170000 Z=0.66320000
      -4: X=0.15358000 Y=0.06170000 Z=0.33680000
      -4: X=0.84642000 Y=0.93830000 Z=0.66320000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -5: X=0.64890000 Y=0.21190000 Z=0.20160000
          MULT= 4          ISPLIT= 8
      -5: X=0.35110000 Y=0.78810000 Z=0.79840000
      -5: X=0.35110000 Y=0.28810000 Z=0.20160000
      -5: X=0.64890000 Y=0.71190000 Z=0.79840000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.87100000 Y=0.16780000 Z=0.03850000
          MULT= 4          ISPLIT= 8
      -6: X=0.12900000 Y=0.83220000 Z=0.96150000
      -6: X=0.12900000 Y=0.33220000 Z=0.03850000
      -6: X=0.87100000 Y=0.66780000 Z=0.96150000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000