R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.559370  9.559370 26.286092 90.000000 90.000000120.000000                   
ATOM  -1: X=0.35956000 Y=0.35956000 Z=0.35956000
          MULT= 2          ISPLIT= 4
      -1: X=0.64044000 Y=0.64044000 Z=0.64044000
Mg         NPT=  781  R0=.000100000 RMT= 1.92        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14684000 Y=0.14684000 Z=0.14684000
          MULT= 2          ISPLIT= 4
      -2: X=0.85316000 Y=0.85316000 Z=0.85316000
Ti         NPT=  781  R0=.000050000 RMT= 1.82        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=0.43899000 Y=0.77881000 Z=0.05511000
          MULT= 6          ISPLIT= 8
      -3: X=0.56101000 Y=0.22119000 Z=0.94489000
      -3: X=0.77881000 Y=0.05511000 Z=0.43899000
      -3: X=0.22119000 Y=0.94489000 Z=0.56101000
      -3: X=0.05511000 Y=0.43899000 Z=0.77881000
      -3: X=0.94489000 Y=0.56101000 Z=0.22119000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000