P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.698625 13.698625 11.865590 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17690000 Y=0.67690000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.82310000 Y=0.32310000 Z=0.50000000
      -2: X=0.32310000 Y=0.17690000 Z=0.50000000
      -2: X=0.67690000 Y=0.82310000 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  -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= 1.90        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= 1.72        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  -5: X=0.63350000 Y=0.13350000 Z=0.21610000
          MULT= 8          ISPLIT= 8
      -5: X=0.36650000 Y=0.86650000 Z=0.78390000
      -5: X=0.86650000 Y=0.63350000 Z=0.21610000
      -5: X=0.13350000 Y=0.36650000 Z=0.78390000
      -5: X=0.36650000 Y=0.86650000 Z=0.21610000
      -5: X=0.63350000 Y=0.13350000 Z=0.78390000
      -5: X=0.13350000 Y=0.36650000 Z=0.21610000
      -5: X=0.86650000 Y=0.63350000 Z=0.78390000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000