H   LATTICE,NONEQUIV.ATOMS   8  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.426385 19.426385 13.228083 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.28        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=0.33333333 Y=0.66666667 Z=0.62000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.12000000
Pb         NPT=  781  R0=.000005000 RMT= 2.28        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=0.30000000 Y=0.40000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.90000000 Y=0.30000000 Z=0.75000000
      -3: X=0.60000000 Y=0.90000000 Z=0.25000000
      -3: X=0.70000000 Y=0.60000000 Z=0.75000000
      -3: X=0.10000000 Y=0.70000000 Z=0.25000000
      -3: X=0.40000000 Y=0.10000000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.28        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  -4: X=0.33333333 Y=0.66666667 Z=0.12000000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.62000000
Cl         NPT=  781  R0=.000100000 RMT= 2.32        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=0.37000000 Y=0.10000000 Z=0.27000000
          MULT= 6          ISPLIT= 8
      -5: X=0.27000000 Y=0.37000000 Z=0.77000000
      -5: X=0.90000000 Y=0.27000000 Z=0.27000000
      -5: X=0.63000000 Y=0.90000000 Z=0.77000000
      -5: X=0.73000000 Y=0.63000000 Z=0.27000000
      -5: X=0.10000000 Y=0.73000000 Z=0.77000000
As         NPT=  781  R0=.000050000 RMT= 1.77        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  -6: X=0.03500000 Y=0.20500000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.83000000 Y=0.03500000 Z=0.75000000
      -6: X=0.79500000 Y=0.83000000 Z=0.25000000
      -6: X=0.96500000 Y=0.79500000 Z=0.75000000
      -6: X=0.17000000 Y=0.96500000 Z=0.25000000
      -6: X=0.20500000 Y=0.17000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.44000000 Y=0.29500000 Z=0.32000000
          MULT= 6          ISPLIT= 8
      -7: X=0.14500000 Y=0.44000000 Z=0.82000000
      -7: X=0.70500000 Y=0.14500000 Z=0.32000000
      -7: X=0.56000000 Y=0.70500000 Z=0.82000000
      -7: X=0.85500000 Y=0.56000000 Z=0.32000000
      -7: X=0.29500000 Y=0.85500000 Z=0.82000000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -8: X=0.44500000 Y=0.07000000 Z=0.05000000
          MULT= 6          ISPLIT= 8
      -8: X=0.37500000 Y=0.44500000 Z=0.55000000
      -8: X=0.93000000 Y=0.37500000 Z=0.05000000
      -8: X=0.55500000 Y=0.93000000 Z=0.55000000
      -8: X=0.62500000 Y=0.55500000 Z=0.05000000
      -8: X=0.07000000 Y=0.62500000 Z=0.55000000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000