B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.240306 16.240306 24.165818 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
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=0.14740000 Y=0.64740000 Z=0.14800000
          MULT= 8          ISPLIT= 8
      -2: X=0.85260000 Y=0.35260000 Z=0.85200000
      -2: X=0.35260000 Y=0.14740000 Z=0.14800000
      -2: X=0.64740000 Y=0.85260000 Z=0.85200000
      -2: X=0.85260000 Y=0.35260000 Z=0.14800000
      -2: X=0.14740000 Y=0.64740000 Z=0.85200000
      -2: X=0.64740000 Y=0.85260000 Z=0.14800000
      -2: X=0.35260000 Y=0.14740000 Z=0.85200000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65960000 Y=0.15960000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.34040000 Y=0.84040000 Z=0.00000000
      -4: X=0.84040000 Y=0.65960000 Z=0.00000000
      -4: X=0.15960000 Y=0.34040000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000