H   LATTICE,NONEQUIV.ATOMS   6  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.454499 18.454499 10.782966 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.05100000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.55100000
Na         NPT=  781  R0=.000100000 RMT= 2.43        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.35846000 Y=0.13271000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.22575000 Y=0.35846000 Z=0.75000000
      -2: X=0.86729000 Y=0.22575000 Z=0.25000000
      -2: X=0.64154000 Y=0.86729000 Z=0.75000000
      -2: X=0.77425000 Y=0.64154000 Z=0.25000000
      -2: X=0.13271000 Y=0.77425000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.16560000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.66560000
Si         NPT=  781  R0=.000100000 RMT= 1.88        Z:  14.00000              
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=0.53460000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.03460000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10431000 Y=0.52304000 Z=0.01840000
          MULT= 6          ISPLIT= 8
      -5: X=0.58127000 Y=0.10431000 Z=0.51840000
      -5: X=0.47696000 Y=0.58127000 Z=0.01840000
      -5: X=0.89569000 Y=0.47696000 Z=0.51840000
      -5: X=0.41873000 Y=0.89569000 Z=0.01840000
      -5: X=0.52304000 Y=0.41873000 Z=0.51840000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15633000 Y=0.25020000 Z=0.28700000
          MULT= 6          ISPLIT= 8
      -6: X=0.90613000 Y=0.15633000 Z=0.78700000
      -6: X=0.74980000 Y=0.90613000 Z=0.28700000
      -6: X=0.84367000 Y=0.74980000 Z=0.78700000
      -6: X=0.09387000 Y=0.84367000 Z=0.28700000
      -6: X=0.25020000 Y=0.09387000 Z=0.78700000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000