B   LATTICE,NONEQUIV.ATOMS   4   79 I4                                         
MODE OF CALC=RELA unit=bohr                                                    
 16.344241 16.344241 13.770434 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.22160000
          MULT= 1          ISPLIT=-2
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=0.00000000 Y=0.00000000 Z=0.73200000
          MULT= 1          ISPLIT=-2
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=0.13300000 Y=0.36500000 Z=0.13600000
          MULT= 4          ISPLIT= 8
      -3: X=0.63500000 Y=0.13300000 Z=0.13600000
      -3: X=0.86700000 Y=0.63500000 Z=0.13600000
      -3: X=0.36500000 Y=0.86700000 Z=0.13600000
Zn         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33700000 Y=0.16400000 Z=0.00200000
          MULT= 4          ISPLIT= 8
      -4: X=0.83600000 Y=0.33700000 Z=0.00200000
      -4: X=0.66300000 Y=0.83600000 Z=0.00200000
      -4: X=0.16400000 Y=0.66300000 Z=0.00200000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000