H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.213953 14.213953 33.882790 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
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.57330000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.42670000
      -2: X=0.66666666 Y=0.33333333 Z=0.07330000
      -2: X=0.33333334 Y=0.66666667 Z=0.92670000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.17380000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.82620000
      -3: X=0.66666666 Y=0.33333333 Z=0.67380000
      -3: X=0.33333334 Y=0.66666667 Z=0.32620000
Mo         NPT=  781  R0=.000010000 RMT= 2.40        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=0.50440000 Y=0.00880000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.49560000 Y=0.99120000 Z=0.75000000
      -4: X=0.49560000 Y=0.50440000 Z=0.75000000
      -4: X=0.50440000 Y=0.49560000 Z=0.25000000
      -4: X=0.00880000 Y=0.50440000 Z=0.75000000
      -4: X=0.99120000 Y=0.49560000 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=0.17240000 Y=0.34480000 Z=0.09270000
          MULT=12          ISPLIT= 8
      -5: X=0.82760000 Y=0.65520000 Z=0.90730000
      -5: X=0.82760000 Y=0.17240000 Z=0.59270000
      -5: X=0.17240000 Y=0.82760000 Z=0.40730000
      -5: X=0.34480000 Y=0.17240000 Z=0.59270000
      -5: X=0.65520000 Y=0.82760000 Z=0.40730000
      -5: X=0.65520000 Y=0.82760000 Z=0.09270000
      -5: X=0.34480000 Y=0.17240000 Z=0.90730000
      -5: X=0.82760000 Y=0.65520000 Z=0.59270000
      -5: X=0.17240000 Y=0.34480000 Z=0.40730000
      -5: X=0.17240000 Y=0.82760000 Z=0.09270000
      -5: X=0.82760000 Y=0.17240000 Z=0.90730000
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