H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.658606 14.658606 33.644684 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
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.57200000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.42800000
      -2: X=0.66666666 Y=0.33333333 Z=0.07200000
      -2: X=0.33333334 Y=0.66666667 Z=0.92800000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.18150000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.81850000
      -3: X=0.66666666 Y=0.33333333 Z=0.68150000
      -3: X=0.33333334 Y=0.66666667 Z=0.31850000
Mo         NPT=  781  R0=.000010000 RMT= 2.29        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=0.51030000 Y=0.02060000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.48970000 Y=0.97940000 Z=0.75000000
      -4: X=0.48970000 Y=0.51030000 Z=0.75000000
      -4: X=0.51030000 Y=0.48970000 Z=0.25000000
      -4: X=0.02060000 Y=0.51030000 Z=0.75000000
      -4: X=0.97940000 Y=0.48970000 Z=0.25000000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.17700000 Y=0.35400000 Z=0.09990000
          MULT=12          ISPLIT= 8
      -5: X=0.82300000 Y=0.64600000 Z=0.90010000
      -5: X=0.82300000 Y=0.17700000 Z=0.59990000
      -5: X=0.17700000 Y=0.82300000 Z=0.40010000
      -5: X=0.35400000 Y=0.17700000 Z=0.59990000
      -5: X=0.64600000 Y=0.82300000 Z=0.40010000
      -5: X=0.64600000 Y=0.82300000 Z=0.09990000
      -5: X=0.35400000 Y=0.17700000 Z=0.90010000
      -5: X=0.82300000 Y=0.64600000 Z=0.59990000
      -5: X=0.17700000 Y=0.35400000 Z=0.40010000
      -5: X=0.17700000 Y=0.82300000 Z=0.09990000
      -5: X=0.82300000 Y=0.17700000 Z=0.90010000
Br         NPT=  781  R0=.000050000 RMT= 2.40        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000