H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1   
MODE OF CALC=RELA unit=bohr
 22.310485 22.310485 11.951195 90.000000 90.000000120.000000
ATOM  -1: X=0.34000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.66000000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.34000000 Z=0.00000000
      -1: X=0.00000000 Y=0.66000000 Z=0.00000000
      -1: X=0.66000000 Y=0.66000000 Z=0.00000000
      -1: X=0.34000000 Y=0.34000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   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=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.47900000
          MULT= 2          ISPLIT=15
      -3: X=0.66666667 Y=0.33333333 Z=0.52100000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11020000 Y=0.88980000 Z=0.23900000
          MULT= 6          ISPLIT=15
      -4: X=0.88980000 Y=0.11020000 Z=0.76100000
      -4: X=0.11020000 Y=0.22040000 Z=0.23900000
      -4: X=0.88980000 Y=0.77960000 Z=0.76100000
      -4: X=0.77960000 Y=0.88980000 Z=0.23900000
      -4: X=0.22040000 Y=0.11020000 Z=0.76100000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.76990000 Y=0.23010000 Z=0.26200000
          MULT= 6          ISPLIT=15
      -5: X=0.23010000 Y=0.76990000 Z=0.73800000
      -5: X=0.76990000 Y=0.53980000 Z=0.26200000
      -5: X=0.23010000 Y=0.46020000 Z=0.73800000
      -5: X=0.46020000 Y=0.23010000 Z=0.26200000
      -5: X=0.53980000 Y=0.76990000 Z=0.73800000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.43410000 Y=0.56590000 Z=0.24400000
          MULT= 6          ISPLIT=15
      -6: X=0.56590000 Y=0.43410000 Z=0.75600000
      -6: X=0.43410000 Y=0.86820000 Z=0.24400000
      -6: X=0.56590000 Y=0.13180000 Z=0.75600000
      -6: X=0.13180000 Y=0.56590000 Z=0.24400000
      -6: X=0.86820000 Y=0.43410000 Z=0.75600000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000