CXZ LATTICE,NONEQUIV.ATOMS   8   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.377587 36.197704 19.781653 90.000000 90.000000 86.373000                   
ATOM  -1: X=0.96888000 Y=0.47534000 Z=0.24952000
          MULT= 4          ISPLIT= 8
      -1: X=0.03112000 Y=0.52466000 Z=0.75048000
      -1: X=0.03112000 Y=0.02466000 Z=0.24952000
      -1: X=0.96888000 Y=0.97534000 Z=0.75048000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.65834000 Y=0.17725000 Z=0.40715000
          MULT= 4          ISPLIT= 8
      -2: X=0.34166000 Y=0.82275000 Z=0.59285000
      -2: X=0.34166000 Y=0.32275000 Z=0.40715000
      -2: X=0.65834000 Y=0.67725000 Z=0.59285000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.87178000 Y=0.17713000 Z=0.12796000
          MULT= 4          ISPLIT= 8
      -3: X=0.12822000 Y=0.82287000 Z=0.87204000
      -3: X=0.12822000 Y=0.32287000 Z=0.12796000
      -3: X=0.87178000 Y=0.67713000 Z=0.87204000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.74683000 Y=0.00712000 Z=0.03309000
          MULT= 4          ISPLIT= 8
      -4: X=0.25317000 Y=0.99288000 Z=0.96691000
      -4: X=0.25317000 Y=0.49288000 Z=0.03309000
      -4: X=0.74683000 Y=0.50712000 Z=0.96691000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.68537000 Y=0.35795000 Z=0.29854000
          MULT= 4          ISPLIT= 8
      -5: X=0.31463000 Y=0.64205000 Z=0.70146000
      -5: X=0.31463000 Y=0.14205000 Z=0.29854000
      -5: X=0.68537000 Y=0.85795000 Z=0.70146000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.52575000 Y=0.14847000 Z=0.02113000
          MULT= 4          ISPLIT= 8
      -6: X=0.47425000 Y=0.85153000 Z=0.97887000
      -6: X=0.47425000 Y=0.35153000 Z=0.02113000
      -6: X=0.52575000 Y=0.64847000 Z=0.97887000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.39776000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.60224000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.75900000 Y=0.61791000 Z=0.00690000
          MULT= 4          ISPLIT= 8
      -8: X=0.24100000 Y=0.38209000 Z=0.99310000
      -8: X=0.24100000 Y=0.88209000 Z=0.00690000
      -8: X=0.75900000 Y=0.11791000 Z=0.99310000
P          NPT=  781  R0=.000100000 RMT= 1.82        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000