CXZ LATTICE,NONEQUIV.ATOMS   8   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.270973 16.705179 14.955293 90.000000 90.000000 81.160000                   
ATOM  -1: X=0.68420000 Y=0.34430000 Z=0.09550000
          MULT= 4          ISPLIT= 8
      -1: X=0.31580000 Y=0.65570000 Z=0.90450000
      -1: X=0.31580000 Y=0.15570000 Z=0.09550000
      -1: X=0.68420000 Y=0.84430000 Z=0.90450000
K          NPT=  781  R0=.000050000 RMT= 2.48        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  -2: X=0.89220000 Y=0.01870000 Z=0.07940000
          MULT= 4          ISPLIT= 8
      -2: X=0.10780000 Y=0.98130000 Z=0.92060000
      -2: X=0.10780000 Y=0.48130000 Z=0.07940000
      -2: X=0.89220000 Y=0.51870000 Z=0.92060000
Mo         NPT=  781  R0=.000010000 RMT= 1.64        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=0.00000000 Y=0.25000000 Z=0.30410000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.69590000
Mo         NPT=  781  R0=.000010000 RMT= 1.64        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=0.87770000 Y=0.17840000 Z=0.24820000
          MULT= 4          ISPLIT= 8
      -4: X=0.12230000 Y=0.82160000 Z=0.75180000
      -4: X=0.12230000 Y=0.32160000 Z=0.24820000
      -4: X=0.87770000 Y=0.67840000 Z=0.75180000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.97790000 Y=0.41010000 Z=0.09230000
          MULT= 4          ISPLIT= 8
      -5: X=0.02210000 Y=0.58990000 Z=0.90770000
      -5: X=0.02210000 Y=0.08990000 Z=0.09230000
      -5: X=0.97790000 Y=0.91010000 Z=0.90770000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.94780000 Y=0.38340000 Z=0.44400000
          MULT= 4          ISPLIT= 8
      -6: X=0.05220000 Y=0.61660000 Z=0.55600000
      -6: X=0.05220000 Y=0.11660000 Z=0.44400000
      -6: X=0.94780000 Y=0.88340000 Z=0.55600000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.79610000 Y=0.58140000 Z=0.04050000
          MULT= 4          ISPLIT= 8
      -7: X=0.20390000 Y=0.41860000 Z=0.95950000
      -7: X=0.20390000 Y=0.91860000 Z=0.04050000
      -7: X=0.79610000 Y=0.08140000 Z=0.95950000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.63510000 Y=0.13890000 Z=0.30840000
          MULT= 4          ISPLIT= 8
      -8: X=0.36490000 Y=0.86110000 Z=0.69160000
      -8: X=0.36490000 Y=0.36110000 Z=0.30840000
      -8: X=0.63510000 Y=0.63890000 Z=0.69160000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000