H   LATTICE,NONEQUIV.ATOMS   5  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.941514 10.941514 27.429375 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.12        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.12394000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.87606000
      -3: X=0.33333333 Y=0.66666667 Z=0.62394000
      -3: X=0.66666667 Y=0.33333333 Z=0.37606000
W          NPT=  781  R0=.000005000 RMT= 1.82        Z:  74.00000              
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=0.24800000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.75200000
      -4: X=0.33333333 Y=0.66666667 Z=0.74800000
      -4: X=0.66666667 Y=0.33333333 Z=0.25200000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.08400000 Y=0.32800000 Z=0.08430000
          MULT=12          ISPLIT= 8
      -5: X=0.91600000 Y=0.67200000 Z=0.91570000
      -5: X=0.67200000 Y=0.75600000 Z=0.08430000
      -5: X=0.32800000 Y=0.24400000 Z=0.91570000
      -5: X=0.67200000 Y=0.91600000 Z=0.58430000
      -5: X=0.32800000 Y=0.08400000 Z=0.41570000
      -5: X=0.24400000 Y=0.91600000 Z=0.08430000
      -5: X=0.75600000 Y=0.08400000 Z=0.91570000
      -5: X=0.08400000 Y=0.75600000 Z=0.58430000
      -5: X=0.91600000 Y=0.24400000 Z=0.41570000
      -5: X=0.24400000 Y=0.32800000 Z=0.58430000
      -5: X=0.75600000 Y=0.67200000 Z=0.41570000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000