P   LATTICE,NONEQUIV.ATOMS   4   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.403277 10.875374 20.919268 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34423000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.65577000 Z=0.75000000
      -1: X=0.50000000 Y=0.84423000 Z=0.25000000
      -1: X=0.50000000 Y=0.15577000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.81        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.04        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24670000 Y=0.08649000 Z=0.31164000
          MULT= 8          ISPLIT= 8
      -3: X=0.75330000 Y=0.91351000 Z=0.68836000
      -3: X=0.74670000 Y=0.58649000 Z=0.18836000
      -3: X=0.25330000 Y=0.41351000 Z=0.81164000
      -3: X=0.25330000 Y=0.58649000 Z=0.31164000
      -3: X=0.74670000 Y=0.41351000 Z=0.68836000
      -3: X=0.75330000 Y=0.08649000 Z=0.18836000
      -3: X=0.24670000 Y=0.91351000 Z=0.81164000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16633000 Y=0.32239000 Z=0.09823000
          MULT= 8          ISPLIT= 8
      -4: X=0.83367000 Y=0.67761000 Z=0.90177000
      -4: X=0.66633000 Y=0.82239000 Z=0.40177000
      -4: X=0.33367000 Y=0.17761000 Z=0.59823000
      -4: X=0.33367000 Y=0.82239000 Z=0.09823000
      -4: X=0.66633000 Y=0.17761000 Z=0.90177000
      -4: X=0.83367000 Y=0.32239000 Z=0.40177000
      -4: X=0.16633000 Y=0.67761000 Z=0.59823000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000