R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.606056 18.606056 26.927085 90.000000 90.000000120.000000                   
ATOM  -1: X=0.17593000 Y=0.17593000 Z=0.17593000
          MULT= 2          ISPLIT= 4
      -1: X=0.82407000 Y=0.82407000 Z=0.82407000
Tl         NPT=  781  R0=.000005000 RMT= 2.28        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=0.12260000 Y=0.41459000 Z=0.71580000
          MULT= 6          ISPLIT= 8
      -2: X=0.87740000 Y=0.58541000 Z=0.28420000
      -2: X=0.41459000 Y=0.71580000 Z=0.12260000
      -2: X=0.58541000 Y=0.28420000 Z=0.87740000
      -2: X=0.71580000 Y=0.12260000 Z=0.41459000
      -2: X=0.28420000 Y=0.87740000 Z=0.58541000
I          NPT=  781  R0=.000010000 RMT= 1.82        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29470000 Y=0.93179000 Z=0.04120000
          MULT= 6          ISPLIT= 8
      -3: X=0.70530000 Y=0.06821000 Z=0.95880000
      -3: X=0.93179000 Y=0.04120000 Z=0.29470000
      -3: X=0.06821000 Y=0.95880000 Z=0.70530000
      -3: X=0.04120000 Y=0.29470000 Z=0.93179000
      -3: X=0.95880000 Y=0.70530000 Z=0.06821000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -4: X=0.43250000 Y=0.31030000 Z=0.08790000
          MULT= 6          ISPLIT= 8
      -4: X=0.56750000 Y=0.68970000 Z=0.91210000
      -4: X=0.31030000 Y=0.08790000 Z=0.43250000
      -4: X=0.68970000 Y=0.91210000 Z=0.56750000
      -4: X=0.08790000 Y=0.43250000 Z=0.31030000
      -4: X=0.91210000 Y=0.56750000 Z=0.68970000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -5: X=0.26000000 Y=0.57199000 Z=0.78910000
          MULT= 6          ISPLIT= 8
      -5: X=0.74000000 Y=0.42801000 Z=0.21090000
      -5: X=0.57199000 Y=0.78910000 Z=0.26000000
      -5: X=0.42801000 Y=0.21090000 Z=0.74000000
      -5: X=0.78910000 Y=0.26000000 Z=0.57199000
      -5: X=0.21090000 Y=0.74000000 Z=0.42801000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000