H   LATTICE,NONEQUIV.ATOMS   6  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.416601 20.416601 30.723167 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.04282000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.95718000
      -1: X=0.66666667 Y=0.33333333 Z=0.54282000
      -1: X=0.33333333 Y=0.66666667 Z=0.45718000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34606000 Y=0.03574000 Z=0.08561000
          MULT=12          ISPLIT= 8
      -2: X=0.65394000 Y=0.96426000 Z=0.91439000
      -2: X=0.96426000 Y=0.31032000 Z=0.08561000
      -2: X=0.03574000 Y=0.68968000 Z=0.91439000
      -2: X=0.03574000 Y=0.34606000 Z=0.58561000
      -2: X=0.96426000 Y=0.65394000 Z=0.41439000
      -2: X=0.68968000 Y=0.65394000 Z=0.08561000
      -2: X=0.31032000 Y=0.34606000 Z=0.91439000
      -2: X=0.65394000 Y=0.68968000 Z=0.58561000
      -2: X=0.34606000 Y=0.31032000 Z=0.41439000
      -2: X=0.31032000 Y=0.96426000 Z=0.58561000
      -2: X=0.68968000 Y=0.03574000 Z=0.41439000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.03865000 Y=0.36718000 Z=0.32156000
          MULT=12          ISPLIT= 8
      -3: X=0.96135000 Y=0.63282000 Z=0.67844000
      -3: X=0.63282000 Y=0.67147000 Z=0.32156000
      -3: X=0.36718000 Y=0.32853000 Z=0.67844000
      -3: X=0.36718000 Y=0.03865000 Z=0.82156000
      -3: X=0.63282000 Y=0.96135000 Z=0.17844000
      -3: X=0.32853000 Y=0.96135000 Z=0.32156000
      -3: X=0.67147000 Y=0.03865000 Z=0.67844000
      -3: X=0.96135000 Y=0.32853000 Z=0.82156000
      -3: X=0.03865000 Y=0.67147000 Z=0.17844000
      -3: X=0.67147000 Y=0.63282000 Z=0.82156000
      -3: X=0.32853000 Y=0.36718000 Z=0.17844000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18924000 Y=0.52387000 Z=0.18302000
          MULT=12          ISPLIT= 8
      -4: X=0.81076000 Y=0.47613000 Z=0.81698000
      -4: X=0.47613000 Y=0.66537000 Z=0.18302000
      -4: X=0.52387000 Y=0.33463000 Z=0.81698000
      -4: X=0.52387000 Y=0.18924000 Z=0.68302000
      -4: X=0.47613000 Y=0.81076000 Z=0.31698000
      -4: X=0.33463000 Y=0.81076000 Z=0.18302000
      -4: X=0.66537000 Y=0.18924000 Z=0.81698000
      -4: X=0.81076000 Y=0.33463000 Z=0.68302000
      -4: X=0.18924000 Y=0.66537000 Z=0.31698000
      -4: X=0.66537000 Y=0.47613000 Z=0.68302000
      -4: X=0.33463000 Y=0.52387000 Z=0.31698000
Mo         NPT=  781  R0=.000010000 RMT= 2.50        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -6: X=0.33333333 Y=0.66666667 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000