P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 13.105818 13.105818 11.233288 90.000000 90.000000 90.000000
ATOM  -1: X=0.17400000 Y=0.67400000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.82600000 Y=0.32600000 Z=0.50000000
      -1: X=0.32600000 Y=0.17400000 Z=0.50000000
      -1: X=0.67400000 Y=0.82600000 Z=0.50000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
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=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.63900000 Y=0.13900000 Z=0.24900000
          MULT= 8          ISPLIT=15
      -4: X=0.36100000 Y=0.86100000 Z=0.75100000
      -4: X=0.86100000 Y=0.63900000 Z=0.24900000
      -4: X=0.13900000 Y=0.36100000 Z=0.75100000
      -4: X=0.36100000 Y=0.86100000 Z=0.24900000
      -4: X=0.63900000 Y=0.13900000 Z=0.75100000
      -4: X=0.13900000 Y=0.36100000 Z=0.24900000
      -4: X=0.86100000 Y=0.63900000 Z=0.75100000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000