H   LATTICE,NONEQUIV.ATOMS   6  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 11.370482 11.370482 29.525081 90.000000 90.000000120.000000                   
ATOM  -1: X=0.15460000 Y=0.30920000 Z=0.09230000
          MULT=12          ISPLIT= 8
      -1: X=0.84540000 Y=0.69080000 Z=0.90770000
      -1: X=0.84540000 Y=0.15460000 Z=0.59230000
      -1: X=0.15460000 Y=0.84540000 Z=0.40770000
      -1: X=0.30920000 Y=0.15460000 Z=0.59230000
      -1: X=0.69080000 Y=0.84540000 Z=0.40770000
      -1: X=0.69080000 Y=0.84540000 Z=0.09230000
      -1: X=0.30920000 Y=0.15460000 Z=0.90770000
      -1: X=0.84540000 Y=0.69080000 Z=0.59230000
      -1: X=0.15460000 Y=0.30920000 Z=0.40770000
      -1: X=0.15460000 Y=0.84540000 Z=0.09230000
      -1: X=0.84540000 Y=0.15460000 Z=0.90770000
O          NPT=  781  R0=.000100000 RMT= 1.53        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  -2: X=0.00000000 Y=0.00000000 Z=0.13050000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.86950000
      -2: X=0.00000000 Y=0.00000000 Z=0.63050000
      -2: X=0.00000000 Y=0.00000000 Z=0.36950000
Mo         NPT=  781  R0=.000010000 RMT= 1.69        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  -3: X=0.33333333 Y=0.66666667 Z=0.54210000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.45790000
      -3: X=0.66666666 Y=0.33333333 Z=0.04210000
      -3: X=0.33333334 Y=0.66666667 Z=0.95790000
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  -4: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 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  -6: X=0.33333333 Y=0.66666667 Z=0.75000000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.25000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000