B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.915824 19.915824 19.915824 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT= 2.23        Z:  81.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.28100000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.71900000 Y=0.00000000 Z=0.75000000
      -2: X=0.71900000 Y=0.50000000 Z=0.25000000
      -2: X=0.28100000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.28100000 Z=0.00000000
      -2: X=0.75000000 Y=0.71900000 Z=0.00000000
      -2: X=0.75000000 Y=0.21900000 Z=0.00000000
      -2: X=0.25000000 Y=0.78100000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.28100000
      -2: X=0.00000000 Y=0.75000000 Z=0.71900000
      -2: X=0.00000000 Y=0.75000000 Z=0.21900000
      -2: X=0.00000000 Y=0.25000000 Z=0.78100000
Tl         NPT=  781  R0=.000005000 RMT= 2.23        Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.10200000 Y=0.35600000 Z=0.13800000
          MULT=24          ISPLIT= 8
      -3: X=0.89800000 Y=0.64400000 Z=0.86200000
      -3: X=0.89800000 Y=0.14400000 Z=0.13800000
      -3: X=0.10200000 Y=0.85600000 Z=0.86200000
      -3: X=0.10200000 Y=0.64400000 Z=0.36200000
      -3: X=0.89800000 Y=0.35600000 Z=0.63800000
      -3: X=0.13800000 Y=0.10200000 Z=0.35600000
      -3: X=0.86200000 Y=0.89800000 Z=0.64400000
      -3: X=0.89800000 Y=0.85600000 Z=0.36200000
      -3: X=0.10200000 Y=0.14400000 Z=0.63800000
      -3: X=0.86200000 Y=0.39800000 Z=0.35600000
      -3: X=0.13800000 Y=0.60200000 Z=0.64400000
      -3: X=0.13800000 Y=0.89800000 Z=0.14400000
      -3: X=0.86200000 Y=0.10200000 Z=0.85600000
      -3: X=0.86200000 Y=0.60200000 Z=0.14400000
      -3: X=0.13800000 Y=0.39800000 Z=0.85600000
      -3: X=0.35600000 Y=0.13800000 Z=0.10200000
      -3: X=0.64400000 Y=0.86200000 Z=0.89800000
      -3: X=0.64400000 Y=0.36200000 Z=0.10200000
      -3: X=0.35600000 Y=0.63800000 Z=0.89800000
      -3: X=0.35600000 Y=0.86200000 Z=0.39800000
      -3: X=0.64400000 Y=0.13800000 Z=0.60200000
      -3: X=0.64400000 Y=0.63800000 Z=0.39800000
      -3: X=0.35600000 Y=0.36200000 Z=0.60200000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000