P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 10.488547 10.488547  7.433238 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
Na         NPT=  781  R0=.000100000 RMT= 2.49        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 1.99        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.71        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=0.22590000 Y=0.72590000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.77410000 Y=0.27410000 Z=0.50000000
      -4: X=0.27410000 Y=0.22590000 Z=0.50000000
      -4: X=0.72590000 Y=0.77410000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000