F   LATTICE,NONEQUIV.ATOMS   3  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.639314 18.639314 18.639314 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Mo         NPT=  781  R0=.000010000 RMT= 2.33        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 2
       2: X=0.75000000 Y=0.75000000 Z=0.75000000
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=0.23990000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.76010000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.23990000 Z=0.00000000
      -3: X=0.00000000 Y=0.76010000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.23990000
      -3: X=0.00000000 Y=0.00000000 Z=0.76010000
Cl         NPT=  781  R0=.000100000 RMT= 2.11        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000