H   LATTICE,NONEQUIV.ATOMS   6  157 P31m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.223084 11.223084 12.147160 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.26400000
          MULT= 1          ISPLIT= 4
Ag         NPT=  781  R0=.000010000 RMT= 2.09        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.73600000
          MULT= 1          ISPLIT= 4
Ag         NPT=  781  R0=.000010000 RMT= 2.09        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.00000000 Z=0.52200000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.52200000
      -3: X=0.50000000 Y=0.50000000 Z=0.52200000
Ag         NPT=  781  R0=.000010000 RMT= 2.09        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.02200000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.02200000
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  -5: X=0.39700000 Y=0.00000000 Z=0.21500000
          MULT= 3          ISPLIT= 8
      -5: X=0.00000000 Y=0.39700000 Z=0.21500000
      -5: X=0.60300000 Y=0.60300000 Z=0.21500000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.60300000 Y=0.00000000 Z=0.82900000
          MULT= 3          ISPLIT= 8
      -6: X=0.00000000 Y=0.60300000 Z=0.82900000
      -6: X=0.39700000 Y=0.39700000 Z=0.82900000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000