H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.031551 13.031551 18.789547 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.06070000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.93930000
      -1: X=0.66666666 Y=0.33333333 Z=0.56070000
      -1: X=0.33333334 Y=0.66666667 Z=0.43930000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.95        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37910000 Y=0.13920000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.62090000 Y=0.86080000 Z=0.75000000
      -3: X=0.23990000 Y=0.37910000 Z=0.75000000
      -3: X=0.76010000 Y=0.62090000 Z=0.25000000
      -3: X=0.86080000 Y=0.23990000 Z=0.25000000
      -3: X=0.13920000 Y=0.76010000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.59420000 Y=0.08980000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.40580000 Y=0.91020000 Z=0.75000000
      -4: X=0.50440000 Y=0.59420000 Z=0.75000000
      -4: X=0.49560000 Y=0.40580000 Z=0.25000000
      -4: X=0.91020000 Y=0.50440000 Z=0.25000000
      -4: X=0.08980000 Y=0.49560000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.25040000 Y=0.03930000 Z=0.11500000
          MULT=12          ISPLIT= 8
      -5: X=0.74960000 Y=0.96070000 Z=0.88500000
      -5: X=0.21110000 Y=0.25040000 Z=0.61500000
      -5: X=0.78890000 Y=0.74960000 Z=0.38500000
      -5: X=0.96070000 Y=0.21110000 Z=0.11500000
      -5: X=0.03930000 Y=0.78890000 Z=0.88500000
      -5: X=0.74960000 Y=0.96070000 Z=0.61500000
      -5: X=0.25040000 Y=0.03930000 Z=0.38500000
      -5: X=0.78890000 Y=0.74960000 Z=0.11500000
      -5: X=0.21110000 Y=0.25040000 Z=0.88500000
      -5: X=0.03930000 Y=0.78890000 Z=0.61500000
      -5: X=0.96070000 Y=0.21110000 Z=0.38500000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000