H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.642603 11.642603 14.828681 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.31        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Rb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  37.00000              
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=0.33640000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.66360000
Rb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  37.00000              
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=0.77670000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.22330000
W          NPT=  781  R0=.000005000 RMT= 1.77        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  -5: X=0.82130000 Y=0.17870000 Z=0.30220000
          MULT= 6          ISPLIT= 8
      -5: X=0.17870000 Y=0.82130000 Z=0.69780000
      -5: X=0.82130000 Y=0.64260000 Z=0.30220000
      -5: X=0.17870000 Y=0.35740000 Z=0.69780000
      -5: X=0.35740000 Y=0.17870000 Z=0.30220000
      -5: X=0.64260000 Y=0.82130000 Z=0.69780000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.00040000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.99960000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000