R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.997623 14.997623 27.276118 90.000000 90.000000120.000000                   
ATOM  -1: X=0.29540000 Y=0.88242000 Z=0.05627000
          MULT= 6          ISPLIT= 8
      -1: X=0.70460000 Y=0.11758000 Z=0.94373000
      -1: X=0.88242000 Y=0.05627000 Z=0.29540000
      -1: X=0.11758000 Y=0.94373000 Z=0.70460000
      -1: X=0.05627000 Y=0.29540000 Z=0.88242000
      -1: X=0.94373000 Y=0.70460000 Z=0.11758000
Nb         NPT=  781  R0=.000010000 RMT= 2.02        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.27405000 Y=0.27405000 Z=0.27405000
          MULT= 2          ISPLIT= 4
      -2: X=0.72595000 Y=0.72595000 Z=0.72595000
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=0.35294000 Y=0.20084000 Z=0.96624000
          MULT= 6          ISPLIT= 8
      -3: X=0.64706000 Y=0.79916000 Z=0.03376000
      -3: X=0.20084000 Y=0.96624000 Z=0.35294000
      -3: X=0.79916000 Y=0.03376000 Z=0.64706000
      -3: X=0.96624000 Y=0.35294000 Z=0.20084000
      -3: X=0.03376000 Y=0.64706000 Z=0.79916000
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  -4: X=0.57118000 Y=0.17287000 Z=0.25768000
          MULT= 6          ISPLIT= 8
      -4: X=0.42882000 Y=0.82713000 Z=0.74232000
      -4: X=0.17287000 Y=0.25768000 Z=0.57118000
      -4: X=0.82713000 Y=0.74232000 Z=0.42882000
      -4: X=0.25768000 Y=0.57118000 Z=0.17287000
      -4: X=0.74232000 Y=0.42882000 Z=0.82713000
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