P   LATTICE,NONEQUIV.ATOMS  12    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.091834 17.376977 18.876474104.936000 90.314000108.140000                   
ATOM  -1: X=0.22806000 Y=0.75519000 Z=0.43558000
          MULT= 2          ISPLIT= 8
      -1: X=0.77194000 Y=0.24481000 Z=0.56442000
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=0.63368000 Y=0.37706000 Z=0.09550000
          MULT= 2          ISPLIT= 8
      -2: X=0.36632000 Y=0.62294000 Z=0.90450000
Mo         NPT=  781  R0=.000010000 RMT= 1.62        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=0.22168000 Y=0.14348000 Z=0.28773000
          MULT= 2          ISPLIT= 8
      -3: X=0.77832000 Y=0.85652000 Z=0.71227000
Mo         NPT=  781  R0=.000010000 RMT= 1.62        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=0.41210000 Y=0.59780000 Z=0.13258000
          MULT= 2          ISPLIT= 8
      -4: X=0.58790000 Y=0.40220000 Z=0.86742000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09510000 Y=0.39040000 Z=0.84480000
          MULT= 2          ISPLIT= 8
      -5: X=0.90490000 Y=0.60960000 Z=0.15520000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.58060000 Y=0.40750000 Z=0.33514000
          MULT= 2          ISPLIT= 8
      -6: X=0.41940000 Y=0.59250000 Z=0.66486000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28350000 Y=0.19020000 Z=0.05645000
          MULT= 2          ISPLIT= 8
      -7: X=0.71650000 Y=0.80980000 Z=0.94355000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.25030000 Y=0.15990000 Z=0.52460000
          MULT= 2          ISPLIT= 8
      -8: X=0.74970000 Y=0.84010000 Z=0.47540000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.46770000 Y=0.01190000 Z=0.25980000
          MULT= 2          ISPLIT= 8
      -9: X=0.53230000 Y=0.98810000 Z=0.74020000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.07950000 Y=0.35120000 Z=0.34100000
          MULT= 2          ISPLIT= 8
     -10: X=0.92050000 Y=0.64880000 Z=0.65900000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.74910000 Y=0.24260000 Z=0.06190000
          MULT= 2          ISPLIT= 8
     -11: X=0.25090000 Y=0.75740000 Z=0.93810000
O          NPT=  781  R0=.000100000 RMT= 1.46        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 -12: X=0.01220000 Y=0.99230000 Z=0.23140000
          MULT= 2          ISPLIT= 8
     -12: X=0.98780000 Y=0.00770000 Z=0.76860000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000