H   LATTICE,NONEQUIV.ATOMS   7  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.161823 19.161823 13.577682 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.00900000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.99100000
      -1: X=0.66666666 Y=0.33333333 Z=0.50900000
      -1: X=0.33333334 Y=0.66666667 Z=0.49100000
Ca         NPT=  781  R0=.000050000 RMT= 2.24        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25810000 Y=0.24390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.74190000 Y=0.75610000 Z=0.75000000
      -2: X=0.01420000 Y=0.25810000 Z=0.75000000
      -2: X=0.98580000 Y=0.74190000 Z=0.25000000
      -2: X=0.75610000 Y=0.01420000 Z=0.25000000
      -2: X=0.24390000 Y=0.98580000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.43        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=0.40210000 Y=0.01260000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.59790000 Y=0.98740000 Z=0.75000000
      -3: X=0.38950000 Y=0.40210000 Z=0.75000000
      -3: X=0.61050000 Y=0.59790000 Z=0.25000000
      -3: X=0.98740000 Y=0.38950000 Z=0.25000000
      -3: X=0.01260000 Y=0.61050000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 1.56        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=0.15900000 Y=0.52300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.84100000 Y=0.47700000 Z=0.75000000
      -4: X=0.63600000 Y=0.15900000 Z=0.75000000
      -4: X=0.36400000 Y=0.84100000 Z=0.25000000
      -4: X=0.47700000 Y=0.63600000 Z=0.25000000
      -4: X=0.52300000 Y=0.36400000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.61600000 Y=0.14200000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.38400000 Y=0.85800000 Z=0.75000000
      -5: X=0.47400000 Y=0.61600000 Z=0.75000000
      -5: X=0.52600000 Y=0.38400000 Z=0.25000000
      -5: X=0.85800000 Y=0.47400000 Z=0.25000000
      -5: X=0.14200000 Y=0.52600000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.36500000 Y=0.08900000 Z=0.06500000
          MULT=12          ISPLIT= 8
      -6: X=0.63500000 Y=0.91100000 Z=0.93500000
      -6: X=0.27600000 Y=0.36500000 Z=0.56500000
      -6: X=0.72400000 Y=0.63500000 Z=0.43500000
      -6: X=0.91100000 Y=0.27600000 Z=0.06500000
      -6: X=0.08900000 Y=0.72400000 Z=0.93500000
      -6: X=0.63500000 Y=0.91100000 Z=0.56500000
      -6: X=0.36500000 Y=0.08900000 Z=0.43500000
      -6: X=0.72400000 Y=0.63500000 Z=0.06500000
      -6: X=0.27600000 Y=0.36500000 Z=0.93500000
      -6: X=0.08900000 Y=0.72400000 Z=0.56500000
      -6: X=0.91100000 Y=0.27600000 Z=0.43500000
O          NPT=  781  R0=.000100000 RMT= 1.41        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