H   LATTICE,NONEQUIV.ATOMS   7  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.373094 19.373094 14.075058 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.00620000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.99380000
      -1: X=0.66666666 Y=0.33333333 Z=0.50620000
      -1: X=0.33333334 Y=0.66666667 Z=0.49380000
Pb         NPT=  781  R0=.000005000 RMT= 2.42        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=0.24631000 Y=0.25085000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.75369000 Y=0.74915000 Z=0.75000000
      -2: X=0.99546000 Y=0.24631000 Z=0.75000000
      -2: X=0.00454000 Y=0.75369000 Z=0.25000000
      -2: X=0.74915000 Y=0.99546000 Z=0.25000000
      -2: X=0.25085000 Y=0.00454000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.42        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=0.02423000 Y=0.40863000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.97577000 Y=0.59137000 Z=0.75000000
      -3: X=0.61560000 Y=0.02423000 Z=0.75000000
      -3: X=0.38440000 Y=0.97577000 Z=0.25000000
      -3: X=0.59137000 Y=0.61560000 Z=0.25000000
      -3: X=0.40863000 Y=0.38440000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.49100000 Y=0.16530000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.50900000 Y=0.83470000 Z=0.75000000
      -4: X=0.32570000 Y=0.49100000 Z=0.75000000
      -4: X=0.67430000 Y=0.50900000 Z=0.25000000
      -4: X=0.83470000 Y=0.32570000 Z=0.25000000
      -4: X=0.16530000 Y=0.67430000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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=0.11190000 Y=0.59910000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.88810000 Y=0.40090000 Z=0.75000000
      -5: X=0.51280000 Y=0.11190000 Z=0.75000000
      -5: X=0.48720000 Y=0.88810000 Z=0.25000000
      -5: X=0.40090000 Y=0.51280000 Z=0.25000000
      -5: X=0.59910000 Y=0.48720000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -6: X=0.08850000 Y=0.35790000 Z=0.06830000
          MULT=12          ISPLIT= 8
      -6: X=0.91150000 Y=0.64210000 Z=0.93170000
      -6: X=0.73060000 Y=0.08850000 Z=0.56830000
      -6: X=0.26940000 Y=0.91150000 Z=0.43170000
      -6: X=0.64210000 Y=0.73060000 Z=0.06830000
      -6: X=0.35790000 Y=0.26940000 Z=0.93170000
      -6: X=0.91150000 Y=0.64210000 Z=0.56830000
      -6: X=0.08850000 Y=0.35790000 Z=0.43170000
      -6: X=0.26940000 Y=0.91150000 Z=0.06830000
      -6: X=0.73060000 Y=0.08850000 Z=0.93170000
      -6: X=0.35790000 Y=0.26940000 Z=0.56830000
      -6: X=0.64210000 Y=0.73060000 Z=0.43170000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000