R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.574454 17.574454 66.839612 90.000000 90.000000120.000000                   
ATOM  -1: X=0.05300000 Y=0.05300000 Z=0.05300000
          MULT= 4          ISPLIT= 4
      -1: X=0.94700000 Y=0.94700000 Z=0.94700000
      -1: X=0.55300000 Y=0.55300000 Z=0.55300000
      -1: X=0.44700000 Y=0.44700000 Z=0.44700000
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=0.41800000 Y=0.08200000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.58200000 Y=0.91800000 Z=0.75000000
      -2: X=0.08200000 Y=0.25000000 Z=0.41800000
      -2: X=0.91800000 Y=0.75000000 Z=0.58200000
      -2: X=0.25000000 Y=0.41800000 Z=0.08200000
      -2: X=0.75000000 Y=0.58200000 Z=0.91800000
Mo         NPT=  781  R0=.000010000 RMT= 2.39        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.35700000 Y=0.17600000 Z=0.02800000
          MULT=12          ISPLIT= 8
      -3: X=0.64300000 Y=0.82400000 Z=0.97200000
      -3: X=0.17600000 Y=0.02800000 Z=0.35700000
      -3: X=0.82400000 Y=0.97200000 Z=0.64300000
      -3: X=0.85700000 Y=0.52800000 Z=0.67600000
      -3: X=0.14300000 Y=0.47200000 Z=0.32400000
      -3: X=0.02800000 Y=0.35700000 Z=0.17600000
      -3: X=0.97200000 Y=0.64300000 Z=0.82400000
      -3: X=0.52800000 Y=0.67600000 Z=0.85700000
      -3: X=0.47200000 Y=0.32400000 Z=0.14300000
      -3: X=0.67600000 Y=0.85700000 Z=0.52800000
      -3: X=0.32400000 Y=0.14300000 Z=0.47200000
Mo         NPT=  781  R0=.000010000 RMT= 2.39        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=0.94300000 Y=0.55700000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.05700000 Y=0.44300000 Z=0.75000000
      -4: X=0.55700000 Y=0.25000000 Z=0.94300000
      -4: X=0.44300000 Y=0.75000000 Z=0.05700000
      -4: X=0.25000000 Y=0.94300000 Z=0.55700000
      -4: X=0.75000000 Y=0.05700000 Z=0.44300000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.21600000 Y=0.48500000 Z=0.87500000
          MULT=12          ISPLIT= 8
      -5: X=0.78400000 Y=0.51500000 Z=0.12500000
      -5: X=0.48500000 Y=0.87500000 Z=0.21600000
      -5: X=0.51500000 Y=0.12500000 Z=0.78400000
      -5: X=0.71600000 Y=0.37500000 Z=0.98500000
      -5: X=0.28400000 Y=0.62500000 Z=0.01500000
      -5: X=0.87500000 Y=0.21600000 Z=0.48500000
      -5: X=0.12500000 Y=0.78400000 Z=0.51500000
      -5: X=0.37500000 Y=0.98500000 Z=0.71600000
      -5: X=0.62500000 Y=0.01500000 Z=0.28400000
      -5: X=0.98500000 Y=0.71600000 Z=0.37500000
      -5: X=0.01500000 Y=0.28400000 Z=0.62500000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.13600000 Y=0.13600000 Z=0.13600000
          MULT= 4          ISPLIT= 4
      -6: X=0.86400000 Y=0.86400000 Z=0.86400000
      -6: X=0.63600000 Y=0.63600000 Z=0.63600000
      -6: X=0.36400000 Y=0.36400000 Z=0.36400000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000