H   LATTICE,NONEQUIV.ATOMS   3  164 P-3m1   
MODE OF CALC=RELA unit=bohr
 11.109700 11.109700  8.713527 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.30070000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.69930000
K          NPT=  781  R0=.000050000 RMT=   2.00000   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=0.83830000 Y=0.16170000 Z=0.22760000
          MULT= 6          ISPLIT=15
      -3: X=0.16170000 Y=0.83830000 Z=0.77240000
      -3: X=0.83830000 Y=0.67660000 Z=0.22760000
      -3: X=0.16170000 Y=0.32340000 Z=0.77240000
      -3: X=0.32340000 Y=0.16170000 Z=0.22760000
      -3: X=0.67660000 Y=0.83830000 Z=0.77240000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000