H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1   
MODE OF CALC=RELA unit=bohr
 23.502146 23.502146 12.595592 90.000000 90.000000120.000000
ATOM  -1: X=0.34340000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.65660000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.34340000 Z=0.00000000
      -1: X=0.00000000 Y=0.65660000 Z=0.00000000
      -1: X=0.65660000 Y=0.65660000 Z=0.00000000
      -1: X=0.34340000 Y=0.34340000 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=0.47990000
          MULT= 2          ISPLIT=15
      -3: X=0.66666667 Y=0.33333333 Z=0.52010000
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=0.10840000 Y=0.89160000 Z=0.24480000
          MULT= 6          ISPLIT=15
      -4: X=0.89160000 Y=0.10840000 Z=0.75520000
      -4: X=0.10840000 Y=0.21680000 Z=0.24480000
      -4: X=0.89160000 Y=0.78320000 Z=0.75520000
      -4: X=0.78320000 Y=0.89160000 Z=0.24480000
      -4: X=0.21680000 Y=0.10840000 Z=0.75520000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.77000000 Y=0.23000000 Z=0.26980000
          MULT= 6          ISPLIT=15
      -5: X=0.23000000 Y=0.77000000 Z=0.73020000
      -5: X=0.77000000 Y=0.54000000 Z=0.26980000
      -5: X=0.23000000 Y=0.46000000 Z=0.73020000
      -5: X=0.46000000 Y=0.23000000 Z=0.26980000
      -5: X=0.54000000 Y=0.77000000 Z=0.73020000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.43650000 Y=0.56350000 Z=0.24490000
          MULT= 6          ISPLIT=15
      -6: X=0.56350000 Y=0.43650000 Z=0.75510000
      -6: X=0.43650000 Y=0.87300000 Z=0.24490000
      -6: X=0.56350000 Y=0.12700000 Z=0.75510000
      -6: X=0.12700000 Y=0.56350000 Z=0.24490000
      -6: X=0.87300000 Y=0.43650000 Z=0.75510000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000