R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.880255 18.880255 96.073677 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41770000 Y=0.72650000 Z=0.01090000
          MULT=12          ISPLIT= 8
      -1: X=0.58230000 Y=0.27350000 Z=0.98910000
      -1: X=0.72650000 Y=0.01090000 Z=0.41770000
      -1: X=0.27350000 Y=0.98910000 Z=0.58230000
      -1: X=0.91770000 Y=0.51090000 Z=0.22650000
      -1: X=0.08230000 Y=0.48910000 Z=0.77350000
      -1: X=0.01090000 Y=0.41770000 Z=0.72650000
      -1: X=0.98910000 Y=0.58230000 Z=0.27350000
      -1: X=0.51090000 Y=0.22650000 Z=0.91770000
      -1: X=0.48910000 Y=0.77350000 Z=0.08230000
      -1: X=0.22650000 Y=0.91770000 Z=0.51090000
      -1: X=0.77350000 Y=0.08230000 Z=0.48910000
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=0.46740000 Y=0.03260000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.53260000 Y=0.96740000 Z=0.75000000
      -2: X=0.03260000 Y=0.25000000 Z=0.46740000
      -2: X=0.96740000 Y=0.75000000 Z=0.53260000
      -2: X=0.25000000 Y=0.46740000 Z=0.03260000
      -2: X=0.75000000 Y=0.53260000 Z=0.96740000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.19760000 Y=0.19760000 Z=0.19760000
          MULT= 4          ISPLIT= 4
      -3: X=0.80240000 Y=0.80240000 Z=0.80240000
      -3: X=0.69760000 Y=0.69760000 Z=0.69760000
      -3: X=0.30240000 Y=0.30240000 Z=0.30240000
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=0.40810000 Y=0.17410000 Z=0.85310000
          MULT=12          ISPLIT= 8
      -4: X=0.59190000 Y=0.82590000 Z=0.14690000
      -4: X=0.17410000 Y=0.85310000 Z=0.40810000
      -4: X=0.82590000 Y=0.14690000 Z=0.59190000
      -4: X=0.90810000 Y=0.35310000 Z=0.67410000
      -4: X=0.09190000 Y=0.64690000 Z=0.32590000
      -4: X=0.85310000 Y=0.40810000 Z=0.17410000
      -4: X=0.14690000 Y=0.59190000 Z=0.82590000
      -4: X=0.35310000 Y=0.67410000 Z=0.90810000
      -4: X=0.64690000 Y=0.32590000 Z=0.09190000
      -4: X=0.67410000 Y=0.90810000 Z=0.35310000
      -4: X=0.32590000 Y=0.09190000 Z=0.64690000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.07920000 Y=0.07920000 Z=0.07920000
          MULT= 4          ISPLIT= 4
      -5: X=0.92080000 Y=0.92080000 Z=0.92080000
      -5: X=0.57920000 Y=0.57920000 Z=0.57920000
      -5: X=0.42080000 Y=0.42080000 Z=0.42080000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000