H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 26.501519 26.501519 12.842579 90.000000 90.000000120.000000                   
ATOM  -1: X=0.67300000 Y=0.00000000 Z=0.28000000
          MULT= 6          ISPLIT= 8
      -1: X=0.67300000 Y=0.67300000 Z=0.78000000
      -1: X=0.00000000 Y=0.67300000 Z=0.28000000
      -1: X=0.32700000 Y=0.00000000 Z=0.78000000
      -1: X=0.32700000 Y=0.32700000 Z=0.28000000
      -1: X=0.00000000 Y=0.32700000 Z=0.78000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
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= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.08600000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.58600000
      -3: X=0.66666667 Y=0.33333333 Z=0.08600000
      -3: X=0.33333334 Y=0.66666667 Z=0.58600000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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  -4: X=0.17200000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.17200000 Y=0.17200000 Z=0.75000000
      -4: X=0.00000000 Y=0.17200000 Z=0.25000000
      -4: X=0.82800000 Y=0.00000000 Z=0.75000000
      -4: X=0.82800000 Y=0.82800000 Z=0.25000000
      -4: X=0.00000000 Y=0.82800000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16600000 Y=0.51800000 Z=0.33600000
          MULT=12          ISPLIT= 8
      -5: X=0.64800000 Y=0.16600000 Z=0.83600000
      -5: X=0.51800000 Y=0.16600000 Z=0.33600000
      -5: X=0.48200000 Y=0.64800000 Z=0.33600000
      -5: X=0.35200000 Y=0.51800000 Z=0.83600000
      -5: X=0.83400000 Y=0.48200000 Z=0.83600000
      -5: X=0.83400000 Y=0.35200000 Z=0.33600000
      -5: X=0.35200000 Y=0.83400000 Z=0.33600000
      -5: X=0.48200000 Y=0.83400000 Z=0.83600000
      -5: X=0.51800000 Y=0.35200000 Z=0.83600000
      -5: X=0.64800000 Y=0.48200000 Z=0.33600000
      -5: X=0.16600000 Y=0.64800000 Z=0.83600000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000