P   LATTICE,NONEQUIV.ATOMS   5  123 P4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  6.228537  6.228537 21.754527 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ti         NPT=  781  R0=.000050000 RMT= 2.41        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  -2: X=0.50000000 Y=0.50000000 Z=0.13600000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.86400000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        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=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.24200000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75800000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.38000000
          MULT= 2          ISPLIT=-2
      -5: X=0.50000000 Y=0.50000000 Z=0.62000000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000