F   LATTICE,NONEQUIV.ATOMS   3  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.514652 15.514652 15.514652 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Zr         NPT=  781  R0=.000010000 RMT= 1.92        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Ti         NPT=  781  R0=.000050000 RMT= 2.03        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24318000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.75682000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.24318000 Z=0.00000000
      -3: X=0.00000000 Y=0.75682000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.24318000
      -3: X=0.00000000 Y=0.00000000 Z=0.75682000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000