R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 16.969931 16.969931 58.830956 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32931000 Y=0.54154000 Z=0.74862000
          MULT= 6          ISPLIT= 8
      -1: X=0.67069000 Y=0.45846000 Z=0.25138000
      -1: X=0.54154000 Y=0.74862000 Z=0.32931000
      -1: X=0.45846000 Y=0.25138000 Z=0.67069000
      -1: X=0.74862000 Y=0.32931000 Z=0.54154000
      -1: X=0.25138000 Y=0.67069000 Z=0.45846000
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=0.38029000 Y=0.38029000 Z=0.38029000
          MULT= 2          ISPLIT= 4
      -2: X=0.61971000 Y=0.61971000 Z=0.61971000
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  -3: X=0.35667000 Y=0.83013000 Z=0.96077000
          MULT= 6          ISPLIT= 8
      -3: X=0.64333000 Y=0.16987000 Z=0.03923000
      -3: X=0.83013000 Y=0.96077000 Z=0.35667000
      -3: X=0.16987000 Y=0.03923000 Z=0.64333000
      -3: X=0.96077000 Y=0.35667000 Z=0.83013000
      -3: X=0.03923000 Y=0.64333000 Z=0.16987000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.17124000 Y=0.17124000 Z=0.17124000
          MULT= 2          ISPLIT= 4
      -4: X=0.82876000 Y=0.82876000 Z=0.82876000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000