P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.859467 18.859467  5.631384 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18000000 Y=0.68000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.82000000 Y=0.32000000 Z=0.50000000
      -2: X=0.32000000 Y=0.18000000 Z=0.50000000
      -2: X=0.68000000 Y=0.82000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.06000000 Y=0.20000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.94000000 Y=0.80000000 Z=0.00000000
      -3: X=0.80000000 Y=0.06000000 Z=0.00000000
      -3: X=0.20000000 Y=0.94000000 Z=0.00000000
      -3: X=0.44000000 Y=0.70000000 Z=0.00000000
      -3: X=0.56000000 Y=0.30000000 Z=0.00000000
      -3: X=0.30000000 Y=0.44000000 Z=0.00000000
      -3: X=0.70000000 Y=0.56000000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000