R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.088836 18.088836 17.667803 90.000000 90.000000120.000000                   
ATOM  -1: X=0.57163000 Y=0.15164000 Z=0.28572000
          MULT= 6          ISPLIT= 8
      -1: X=0.42837000 Y=0.84836000 Z=0.71428000
      -1: X=0.15164000 Y=0.28572000 Z=0.57163000
      -1: X=0.84836000 Y=0.71428000 Z=0.42837000
      -1: X=0.28572000 Y=0.57163000 Z=0.15164000
      -1: X=0.71428000 Y=0.42837000 Z=0.84836000
Tl         NPT=  781  R0=.000005000 RMT= 2.18        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 1.97        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28648000 Y=0.95303000 Z=0.11821000
          MULT= 6          ISPLIT= 8
      -3: X=0.71352000 Y=0.04697000 Z=0.88179000
      -3: X=0.95303000 Y=0.11821000 Z=0.28648000
      -3: X=0.04697000 Y=0.88179000 Z=0.71352000
      -3: X=0.11821000 Y=0.28648000 Z=0.95303000
      -3: X=0.88179000 Y=0.71352000 Z=0.04697000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000