CXZ LATTICE,NONEQUIV.ATOMS   8    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 19.964957 15.191508 12.127884 90.000000 90.000000 88.950000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
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=0.50000000 Z=0.05060000
          MULT= 1          ISPLIT= 8
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.66642000 Y=0.17767000 Z=0.00710000
          MULT= 2          ISPLIT= 8
      -3: X=0.33358000 Y=0.82233000 Z=0.00710000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.83770000 Y=0.30810000 Z=0.52570000
          MULT= 2          ISPLIT= 8
      -4: X=0.16230000 Y=0.69190000 Z=0.52570000
Mo         NPT=  781  R0=.000010000 RMT= 1.68        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  -5: X=0.80890000 Y=0.50990000 Z=0.44900000
          MULT= 2          ISPLIT= 8
      -5: X=0.19110000 Y=0.49010000 Z=0.44900000
O          NPT=  781  R0=.000100000 RMT= 1.52        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=0.43730000 Y=0.28730000 Z=0.23300000
          MULT= 2          ISPLIT= 8
      -6: X=0.56270000 Y=0.71270000 Z=0.23300000
O          NPT=  781  R0=.000100000 RMT= 1.52        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=0.69740000 Y=0.21670000 Z=0.58000000
          MULT= 2          ISPLIT= 8
      -7: X=0.30260000 Y=0.78330000 Z=0.58000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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=0.91630000 Y=0.20070000 Z=0.31520000
          MULT= 2          ISPLIT= 8
      -8: X=0.08370000 Y=0.79930000 Z=0.31520000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000