H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.801976 17.801976 22.908394 90.000000 90.000000120.000000                   
ATOM  -1: X=0.51458000 Y=0.15894000 Z=0.06081000
          MULT=12          ISPLIT= 8
      -1: X=0.48542000 Y=0.84106000 Z=0.93919000
      -1: X=0.35564000 Y=0.51458000 Z=0.56081000
      -1: X=0.64436000 Y=0.48542000 Z=0.43919000
      -1: X=0.84106000 Y=0.35564000 Z=0.06081000
      -1: X=0.15894000 Y=0.64436000 Z=0.93919000
      -1: X=0.48542000 Y=0.84106000 Z=0.56081000
      -1: X=0.51458000 Y=0.15894000 Z=0.43919000
      -1: X=0.64436000 Y=0.48542000 Z=0.06081000
      -1: X=0.35564000 Y=0.51458000 Z=0.93919000
      -1: X=0.15894000 Y=0.64436000 Z=0.56081000
      -1: X=0.84106000 Y=0.35564000 Z=0.43919000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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  -2: X=0.49538000 Y=0.31875000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.50462000 Y=0.68125000 Z=0.75000000
      -2: X=0.17663000 Y=0.49538000 Z=0.75000000
      -2: X=0.82337000 Y=0.50462000 Z=0.25000000
      -2: X=0.68125000 Y=0.17663000 Z=0.25000000
      -2: X=0.31875000 Y=0.82337000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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=0.33072000 Y=0.29137000 Z=0.07781000
          MULT=12          ISPLIT= 8
      -3: X=0.66928000 Y=0.70863000 Z=0.92219000
      -3: X=0.03935000 Y=0.33072000 Z=0.57781000
      -3: X=0.96065000 Y=0.66928000 Z=0.42219000
      -3: X=0.70863000 Y=0.03935000 Z=0.07781000
      -3: X=0.29137000 Y=0.96065000 Z=0.92219000
      -3: X=0.66928000 Y=0.70863000 Z=0.57781000
      -3: X=0.33072000 Y=0.29137000 Z=0.42219000
      -3: X=0.96065000 Y=0.66928000 Z=0.07781000
      -3: X=0.03935000 Y=0.33072000 Z=0.92219000
      -3: X=0.29137000 Y=0.96065000 Z=0.57781000
      -3: X=0.70863000 Y=0.03935000 Z=0.42219000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36715000 Y=0.00321000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.63285000 Y=0.99679000 Z=0.75000000
      -4: X=0.36394000 Y=0.36715000 Z=0.75000000
      -4: X=0.63606000 Y=0.63285000 Z=0.25000000
      -4: X=0.99679000 Y=0.36394000 Z=0.25000000
      -4: X=0.00321000 Y=0.63606000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
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=0.10355000
          MULT= 4          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.89645000
      -5: X=0.66666666 Y=0.33333333 Z=0.60355000
      -5: X=0.33333334 Y=0.66666667 Z=0.39645000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000