R   LATTICE,NONEQUIV.ATOMS   6  148 R-3     
MODE OF CALC=RELA unit=bohr
 10.489681 10.489681 49.469250 90.000000 90.000000120.000000
ATOM  -1: X=0.13402000 Y=0.13402000 Z=0.13402000
          MULT= 2          ISPLIT=15
      -1: X=0.86598000 Y=0.86598000 Z=0.86598000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.28775000 Y=0.28775000 Z=0.28775000
          MULT= 2          ISPLIT=15
      -2: X=0.71225000 Y=0.71225000 Z=0.71225000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42483000 Y=0.42483000 Z=0.42483000
          MULT= 2          ISPLIT=15
      -3: X=0.57517000 Y=0.57517000 Z=0.57517000
Ti         NPT=  781  R0=.000050000 RMT=   2.00000   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=15
Ti         NPT=  781  R0=.000050000 RMT=   2.00000   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  -5: X=0.31136000 Y=0.43705000 Z=0.88486000
          MULT= 6          ISPLIT=15
      -5: X=0.68864000 Y=0.56295000 Z=0.11514000
      -5: X=0.43705000 Y=0.88486000 Z=0.31136000
      -5: X=0.56295000 Y=0.11514000 Z=0.68864000
      -5: X=0.88486000 Y=0.31136000 Z=0.43705000
      -5: X=0.11514000 Y=0.68864000 Z=0.56295000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.15309000 Y=0.26199000 Z=0.70849000
          MULT= 6          ISPLIT=15
      -6: X=0.84691000 Y=0.73801000 Z=0.29151000
      -6: X=0.26199000 Y=0.70849000 Z=0.15309000
      -6: X=0.73801000 Y=0.29151000 Z=0.84691000
      -6: X=0.70849000 Y=0.15309000 Z=0.26199000
      -6: X=0.29151000 Y=0.84691000 Z=0.73801000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000