H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.213678 12.213678 25.226332 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333333 Y=0.66666667 Z=0.75000000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.02289000 Y=0.33077000 Z=0.11885000
          MULT=12          ISPLIT= 8
      -2: X=0.97711000 Y=0.66923000 Z=0.88115000
      -2: X=0.66923000 Y=0.69212000 Z=0.11885000
      -2: X=0.33077000 Y=0.30788000 Z=0.88115000
      -2: X=0.33077000 Y=0.02289000 Z=0.61885000
      -2: X=0.66923000 Y=0.97711000 Z=0.38115000
      -2: X=0.30788000 Y=0.97711000 Z=0.11885000
      -2: X=0.69212000 Y=0.02289000 Z=0.88115000
      -2: X=0.97711000 Y=0.30788000 Z=0.61885000
      -2: X=0.02289000 Y=0.69212000 Z=0.38115000
      -2: X=0.69212000 Y=0.66923000 Z=0.61885000
      -2: X=0.30788000 Y=0.33077000 Z=0.38115000
Se         NPT=  781  R0=.000050000 RMT= 2.26        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.16740000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.83260000
      -4: X=0.66666667 Y=0.33333333 Z=0.66740000
      -4: X=0.33333333 Y=0.66666667 Z=0.33260000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000