R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.127421 10.127421 41.085102 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12400000 Y=0.12400000 Z=0.12400000
          MULT= 2          ISPLIT= 4
      -1: X=0.87600000 Y=0.87600000 Z=0.87600000
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=0.33300000 Y=0.33300000 Z=0.33300000
          MULT= 2          ISPLIT= 4
      -2: X=0.66700000 Y=0.66700000 Z=0.66700000
Sb         NPT=  781  R0=.000010000 RMT= 2.01        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29000000 Y=0.53000000 Z=0.99000000
          MULT= 6          ISPLIT= 8
      -3: X=0.71000000 Y=0.47000000 Z=0.01000000
      -3: X=0.53000000 Y=0.99000000 Z=0.29000000
      -3: X=0.47000000 Y=0.01000000 Z=0.71000000
      -3: X=0.99000000 Y=0.29000000 Z=0.53000000
      -3: X=0.01000000 Y=0.71000000 Z=0.47000000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000