H   LATTICE,NONEQUIV.ATOMS   5  162 P-31m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.330343 18.330343 15.590241 90.000000 90.000000120.000000                   
ATOM  -1: X=0.35000000 Y=0.00000000 Z=0.24200000
          MULT= 6          ISPLIT= 8
      -1: X=0.65000000 Y=0.00000000 Z=0.75800000
      -1: X=0.00000000 Y=0.35000000 Z=0.24200000
      -1: X=0.00000000 Y=0.65000000 Z=0.75800000
      -1: X=0.65000000 Y=0.65000000 Z=0.24200000
      -1: X=0.35000000 Y=0.35000000 Z=0.75800000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.00000000 Y=0.00000000 Z=0.24200000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75800000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.24200000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.75800000
      -3: X=0.66666667 Y=0.33333333 Z=0.24200000
      -3: X=0.33333333 Y=0.66666667 Z=0.75800000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14200000 Y=0.85800000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -4: X=0.85800000 Y=0.14200000 Z=0.50000000
      -4: X=0.14200000 Y=0.28400000 Z=0.50000000
      -4: X=0.85800000 Y=0.71600000 Z=0.50000000
      -4: X=0.71600000 Y=0.85800000 Z=0.50000000
      -4: X=0.28400000 Y=0.14200000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.8660254 0.5000000
                     0.0000000-0.5000000-0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.14200000 Y=0.85800000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -5: X=0.85800000 Y=0.14200000 Z=0.00000000
      -5: X=0.14200000 Y=0.28400000 Z=0.00000000
      -5: X=0.85800000 Y=0.71600000 Z=0.00000000
      -5: X=0.71600000 Y=0.85800000 Z=0.00000000
      -5: X=0.28400000 Y=0.14200000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.8660254 0.5000000
                     0.0000000-0.5000000-0.8660254
                     1.0000000 0.0000000 0.0000000