H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.505753 19.505753 13.330128 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.01010000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.98990000
      -1: X=0.66666666 Y=0.33333333 Z=0.51010000
      -1: X=0.33333334 Y=0.66666667 Z=0.48990000
Pb         NPT=  781  R0=.000005000 RMT= 2.47        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=0.22830000 Y=0.26460000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.77170000 Y=0.73540000 Z=0.75000000
      -2: X=0.96370000 Y=0.22830000 Z=0.75000000
      -2: X=0.03630000 Y=0.77170000 Z=0.25000000
      -2: X=0.73540000 Y=0.96370000 Z=0.25000000
      -2: X=0.26460000 Y=0.03630000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.47        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=0.01310000 Y=0.41390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.98690000 Y=0.58610000 Z=0.75000000
      -3: X=0.59920000 Y=0.01310000 Z=0.75000000
      -3: X=0.40080000 Y=0.98690000 Z=0.25000000
      -3: X=0.58610000 Y=0.59920000 Z=0.25000000
      -3: X=0.41390000 Y=0.40080000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 1.72        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -4: 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
ATOM  -5: X=0.15100000 Y=0.61700000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.84900000 Y=0.38300000 Z=0.75000000
      -5: X=0.53400000 Y=0.15100000 Z=0.75000000
      -5: X=0.46600000 Y=0.84900000 Z=0.25000000
      -5: X=0.38300000 Y=0.53400000 Z=0.25000000
      -5: X=0.61700000 Y=0.46600000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.09000000 Y=0.36700000 Z=0.06100000
          MULT=12          ISPLIT= 8
      -6: X=0.91000000 Y=0.63300000 Z=0.93900000
      -6: X=0.72300000 Y=0.09000000 Z=0.56100000
      -6: X=0.27700000 Y=0.91000000 Z=0.43900000
      -6: X=0.63300000 Y=0.72300000 Z=0.06100000
      -6: X=0.36700000 Y=0.27700000 Z=0.93900000
      -6: X=0.91000000 Y=0.63300000 Z=0.56100000
      -6: X=0.09000000 Y=0.36700000 Z=0.43900000
      -6: X=0.27700000 Y=0.91000000 Z=0.06100000
      -6: X=0.72300000 Y=0.09000000 Z=0.93900000
      -6: X=0.36700000 Y=0.27700000 Z=0.56100000
      -6: X=0.63300000 Y=0.72300000 Z=0.43900000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000