CXZ LATTICE,NONEQUIV.ATOMS   9   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 44.342424 18.313336  9.216194 90.000000 90.000000 77.190000                   
ATOM  -1: X=0.81025000 Y=0.45270000 Z=0.08860000
          MULT= 4          ISPLIT= 8
      -1: X=0.18975000 Y=0.54730000 Z=0.91140000
      -1: X=0.18975000 Y=0.04730000 Z=0.08860000
      -1: X=0.81025000 Y=0.95270000 Z=0.91140000
Te         NPT=  781  R0=.000010000 RMT= 1.84        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.93945000 Y=0.17830000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -2: X=0.06055000 Y=0.82170000 Z=0.99500000
      -2: X=0.06055000 Y=0.32170000 Z=0.00500000
      -2: X=0.93945000 Y=0.67830000 Z=0.99500000
Te         NPT=  781  R0=.000010000 RMT= 1.84        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.94870000 Y=0.41160000 Z=0.48360000
          MULT= 4          ISPLIT= 8
      -3: X=0.05130000 Y=0.58840000 Z=0.51640000
      -3: X=0.05130000 Y=0.08840000 Z=0.48360000
      -3: X=0.94870000 Y=0.91160000 Z=0.51640000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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=0.67110000 Y=0.29490000 Z=0.00430000
          MULT= 4          ISPLIT= 8
      -4: X=0.32890000 Y=0.70510000 Z=0.99570000
      -4: X=0.32890000 Y=0.20510000 Z=0.00430000
      -4: X=0.67110000 Y=0.79490000 Z=0.99570000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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  -5: X=0.85240000 Y=0.46100000 Z=0.40080000
          MULT= 4          ISPLIT= 8
      -5: X=0.14760000 Y=0.53900000 Z=0.59920000
      -5: X=0.14760000 Y=0.03900000 Z=0.40080000
      -5: X=0.85240000 Y=0.96100000 Z=0.59920000
O          NPT=  781  R0=.000100000 RMT= 1.59        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=0.94690000 Y=0.15480000 Z=0.38150000
          MULT= 4          ISPLIT= 8
      -6: X=0.05310000 Y=0.84520000 Z=0.61850000
      -6: X=0.05310000 Y=0.34520000 Z=0.38150000
      -6: X=0.94690000 Y=0.65480000 Z=0.61850000
O          NPT=  781  R0=.000100000 RMT= 1.59        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=0.54680000 Y=0.13770000 Z=0.47290000
          MULT= 4          ISPLIT= 8
      -7: X=0.45320000 Y=0.86230000 Z=0.52710000
      -7: X=0.45320000 Y=0.36230000 Z=0.47290000
      -7: X=0.54680000 Y=0.63770000 Z=0.52710000
O          NPT=  781  R0=.000100000 RMT= 1.59        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=0.85360000 Y=0.24660000 Z=0.00370000
          MULT= 4          ISPLIT= 8
      -8: X=0.14640000 Y=0.75340000 Z=0.99630000
      -8: X=0.14640000 Y=0.25340000 Z=0.00370000
      -8: X=0.85360000 Y=0.74660000 Z=0.99630000
O          NPT=  781  R0=.000100000 RMT= 1.59        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=0.75270000 Y=0.36510000 Z=0.24830000
          MULT= 4          ISPLIT= 8
      -9: X=0.24730000 Y=0.63490000 Z=0.75170000
      -9: X=0.24730000 Y=0.13490000 Z=0.24830000
      -9: X=0.75270000 Y=0.86510000 Z=0.75170000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000