R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.653692 14.653692 26.594114 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31096000 Y=0.87808000 Z=0.05432000
          MULT= 6          ISPLIT= 8
      -2: X=0.68904000 Y=0.12192000 Z=0.94568000
      -2: X=0.87808000 Y=0.05432000 Z=0.31096000
      -2: X=0.12192000 Y=0.94568000 Z=0.68904000
      -2: X=0.05432000 Y=0.31096000 Z=0.87808000
      -2: X=0.94568000 Y=0.68904000 Z=0.12192000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        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=0.27241000 Y=0.27241000 Z=0.27241000
          MULT= 2          ISPLIT= 4
      -3: X=0.72759000 Y=0.72759000 Z=0.72759000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.67        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=0.57663000 Y=0.18103000 Z=0.25793000
          MULT= 6          ISPLIT= 8
      -5: X=0.42337000 Y=0.81897000 Z=0.74207000
      -5: X=0.18103000 Y=0.25793000 Z=0.57663000
      -5: X=0.81897000 Y=0.74207000 Z=0.42337000
      -5: X=0.25793000 Y=0.57663000 Z=0.18103000
      -5: X=0.74207000 Y=0.42337000 Z=0.81897000
O          NPT=  781  R0=.000100000 RMT= 1.67        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  -6: X=0.35482000 Y=0.20571000 Z=0.95682000
          MULT= 6          ISPLIT= 8
      -6: X=0.64518000 Y=0.79429000 Z=0.04318000
      -6: X=0.20571000 Y=0.95682000 Z=0.35482000
      -6: X=0.79429000 Y=0.04318000 Z=0.64518000
      -6: X=0.95682000 Y=0.35482000 Z=0.20571000
      -6: X=0.04318000 Y=0.64518000 Z=0.79429000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000