P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.914054 13.914054 11.867480 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.67800000 Y=0.17800000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.32200000 Y=0.82200000 Z=0.50000000
      -1: X=0.82200000 Y=0.67800000 Z=0.50000000
      -1: X=0.17800000 Y=0.32200000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.42        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 1.93        Z:  46.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.74        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  -5: X=0.13080000 Y=0.63080000 Z=0.22270000
          MULT= 8          ISPLIT= 8
      -5: X=0.86920000 Y=0.36920000 Z=0.77730000
      -5: X=0.36920000 Y=0.13080000 Z=0.22270000
      -5: X=0.63080000 Y=0.86920000 Z=0.77730000
      -5: X=0.86920000 Y=0.36920000 Z=0.22270000
      -5: X=0.13080000 Y=0.63080000 Z=0.77730000
      -5: X=0.63080000 Y=0.86920000 Z=0.22270000
      -5: X=0.36920000 Y=0.13080000 Z=0.77730000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000