P   LATTICE,NONEQUIV.ATOMS   4   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.693625 29.372013 12.031886 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17998000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.82002000 Z=0.75000000
      -1: X=0.50000000 Y=0.67998000 Z=0.25000000
      -1: X=0.50000000 Y=0.32002000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.42941000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.57059000 Z=0.75000000
      -2: X=0.50000000 Y=0.92941000 Z=0.25000000
      -2: X=0.50000000 Y=0.07059000 Z=0.75000000
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.23450000 Y=0.32231000 Z=0.10438000
          MULT= 8          ISPLIT= 8
      -3: X=0.76550000 Y=0.67769000 Z=0.89562000
      -3: X=0.73450000 Y=0.82231000 Z=0.39562000
      -3: X=0.26550000 Y=0.17769000 Z=0.60438000
      -3: X=0.26550000 Y=0.82231000 Z=0.10438000
      -3: X=0.73450000 Y=0.17769000 Z=0.89562000
      -3: X=0.76550000 Y=0.32231000 Z=0.39562000
      -3: X=0.23450000 Y=0.67769000 Z=0.60438000
Cl         NPT=  781  R0=.000100000 RMT= 2.14        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.27400000 Y=0.04919000 Z=0.07376000
          MULT= 8          ISPLIT= 8
      -4: X=0.72600000 Y=0.95081000 Z=0.92624000
      -4: X=0.77400000 Y=0.54919000 Z=0.42624000
      -4: X=0.22600000 Y=0.45081000 Z=0.57376000
      -4: X=0.22600000 Y=0.54919000 Z=0.07376000
      -4: X=0.77400000 Y=0.45081000 Z=0.92624000
      -4: X=0.72600000 Y=0.04919000 Z=0.42624000
      -4: X=0.27400000 Y=0.95081000 Z=0.57376000
Cl         NPT=  781  R0=.000100000 RMT= 2.14        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000