P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.080409 11.080409 16.045098 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.73214000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.26786000
Na         NPT=  781  R0=.000100000 RMT= 2.10        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.25000000 Y=0.75000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.26142000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.73858000
W          NPT=  781  R0=.000005000 RMT= 1.71        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.46140000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.53860000
O          NPT=  781  R0=.000100000 RMT= 1.48        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  -5: X=0.25000000 Y=0.25000000 Z=0.01410000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.98590000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.02332000 Y=0.02332000 Z=0.22625000
          MULT= 8          ISPLIT= 8
      -6: X=0.97668000 Y=0.97668000 Z=0.77375000
      -6: X=0.47668000 Y=0.02332000 Z=0.22625000
      -6: X=0.52332000 Y=0.97668000 Z=0.77375000
      -6: X=0.47668000 Y=0.47668000 Z=0.22625000
      -6: X=0.52332000 Y=0.52332000 Z=0.77375000
      -6: X=0.02332000 Y=0.47668000 Z=0.22625000
      -6: X=0.97668000 Y=0.52332000 Z=0.77375000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000