H   LATTICE,NONEQUIV.ATOMS   7  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.878364 18.878364 13.974525 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.00132000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.99868000
      -1: X=0.66666666 Y=0.33333333 Z=0.50132000
      -1: X=0.33333334 Y=0.66666667 Z=0.49868000
Sr         NPT=  781  R0=.000010000 RMT= 2.23        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23777000 Y=0.24891000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.76223000 Y=0.75109000 Z=0.75000000
      -2: X=0.98886000 Y=0.23777000 Z=0.75000000
      -2: X=0.01114000 Y=0.76223000 Z=0.25000000
      -2: X=0.75109000 Y=0.98886000 Z=0.25000000
      -2: X=0.24891000 Y=0.01114000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.23        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40023000 Y=0.03023000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.59977000 Y=0.96977000 Z=0.75000000
      -3: X=0.37000000 Y=0.40023000 Z=0.75000000
      -3: X=0.63000000 Y=0.59977000 Z=0.25000000
      -3: X=0.96977000 Y=0.37000000 Z=0.25000000
      -3: X=0.03023000 Y=0.63000000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16250000 Y=0.48610000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.83750000 Y=0.51390000 Z=0.75000000
      -4: X=0.67640000 Y=0.16250000 Z=0.75000000
      -4: X=0.32360000 Y=0.83750000 Z=0.25000000
      -4: X=0.51390000 Y=0.67640000 Z=0.25000000
      -4: X=0.48610000 Y=0.32360000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.59400000 Y=0.12390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.40600000 Y=0.87610000 Z=0.75000000
      -5: X=0.47010000 Y=0.59400000 Z=0.75000000
      -5: X=0.52990000 Y=0.40600000 Z=0.25000000
      -5: X=0.87610000 Y=0.47010000 Z=0.25000000
      -5: X=0.12390000 Y=0.52990000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.34380000 Y=0.08970000 Z=0.06880000
          MULT=12          ISPLIT= 8
      -6: X=0.65620000 Y=0.91030000 Z=0.93120000
      -6: X=0.25410000 Y=0.34380000 Z=0.56880000
      -6: X=0.74590000 Y=0.65620000 Z=0.43120000
      -6: X=0.91030000 Y=0.25410000 Z=0.06880000
      -6: X=0.08970000 Y=0.74590000 Z=0.93120000
      -6: X=0.65620000 Y=0.91030000 Z=0.56880000
      -6: X=0.34380000 Y=0.08970000 Z=0.43120000
      -6: X=0.74590000 Y=0.65620000 Z=0.06880000
      -6: X=0.25410000 Y=0.34380000 Z=0.93120000
      -6: X=0.08970000 Y=0.74590000 Z=0.56880000
      -6: X=0.91030000 Y=0.25410000 Z=0.43120000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.34        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000