P   LATTICE,NONEQUIV.ATOMS   5  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.245425 12.245425  9.650831 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.56570000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.43430000
Ti         NPT=  781  R0=.000050000 RMT= 1.67        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.17        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -3: X=0.25000000 Y=0.75000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.54290000 Z=0.68310000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.45710000 Z=0.31690000
      -4: X=0.95710000 Y=0.25000000 Z=0.68310000
      -4: X=0.04290000 Y=0.75000000 Z=0.31690000
      -4: X=0.25000000 Y=0.95710000 Z=0.68310000
      -4: X=0.75000000 Y=0.04290000 Z=0.31690000
      -4: X=0.54290000 Y=0.25000000 Z=0.68310000
      -4: X=0.45710000 Y=0.75000000 Z=0.31690000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.25000000 Z=0.23380000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.76620000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000