H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.136663 14.136663 33.198331 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: 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  -2: X=0.33333333 Y=0.66666667 Z=0.56480000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.43520000
      -2: X=0.66666666 Y=0.33333333 Z=0.06480000
      -2: X=0.33333334 Y=0.66666667 Z=0.93520000
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=0.17670000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.82330000
      -3: X=0.66666666 Y=0.33333333 Z=0.67670000
      -3: X=0.33333334 Y=0.66666667 Z=0.32330000
Mo         NPT=  781  R0=.000010000 RMT= 2.41        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.45780000 Y=0.01270000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.54220000 Y=0.98730000 Z=0.75000000
      -4: X=0.44510000 Y=0.45780000 Z=0.75000000
      -4: X=0.55490000 Y=0.54220000 Z=0.25000000
      -4: X=0.98730000 Y=0.44510000 Z=0.25000000
      -4: X=0.01270000 Y=0.55490000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.41        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=0.22010000 Y=0.34580000 Z=0.09340000
          MULT=12          ISPLIT= 8
      -5: X=0.77990000 Y=0.65420000 Z=0.90660000
      -5: X=0.87430000 Y=0.22010000 Z=0.59340000
      -5: X=0.12570000 Y=0.77990000 Z=0.40660000
      -5: X=0.65420000 Y=0.87430000 Z=0.09340000
      -5: X=0.34580000 Y=0.12570000 Z=0.90660000
      -5: X=0.77990000 Y=0.65420000 Z=0.59340000
      -5: X=0.22010000 Y=0.34580000 Z=0.40660000
      -5: X=0.12570000 Y=0.77990000 Z=0.09340000
      -5: X=0.87430000 Y=0.22010000 Z=0.90660000
      -5: X=0.34580000 Y=0.12570000 Z=0.59340000
      -5: X=0.65420000 Y=0.87430000 Z=0.40660000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000