P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.244059 11.244059 18.286502 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.77625000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.22375000
Pb         NPT=  781  R0=.000005000 RMT= 2.29        Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.17891000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.82109000
Pb         NPT=  781  R0=.000005000 RMT= 2.29        Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -3: X=0.25000000 Y=0.75000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.25000000 Y=0.75000000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.25000000 Z=0.54170000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.45830000
F          NPT=  781  R0=.000100000 RMT= 1.97        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  -6: X=0.01590000 Y=0.01590000 Z=0.31200000
          MULT= 8          ISPLIT= 8
      -6: X=0.98410000 Y=0.98410000 Z=0.68800000
      -6: X=0.48410000 Y=0.01590000 Z=0.31200000
      -6: X=0.51590000 Y=0.98410000 Z=0.68800000
      -6: X=0.48410000 Y=0.48410000 Z=0.31200000
      -6: X=0.51590000 Y=0.51590000 Z=0.68800000
      -6: X=0.01590000 Y=0.48410000 Z=0.31200000
      -6: X=0.98410000 Y=0.51590000 Z=0.68800000
F          NPT=  781  R0=.000100000 RMT= 1.97        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000