P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.073795 11.073795 15.986327 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.73878000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.26122000
Na         NPT=  781  R0=.000100000 RMT= 2.08        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=0.26446000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.73554000
Mo         NPT=  781  R0=.000010000 RMT= 1.65        Z:  42.00000              
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=0.46208000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.53792000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.01492000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.98508000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.02272000 Y=0.02272000 Z=0.22890000
          MULT= 8          ISPLIT= 8
      -6: X=0.97728000 Y=0.97728000 Z=0.77110000
      -6: X=0.47728000 Y=0.02272000 Z=0.22890000
      -6: X=0.52272000 Y=0.97728000 Z=0.77110000
      -6: X=0.47728000 Y=0.47728000 Z=0.22890000
      -6: X=0.52272000 Y=0.52272000 Z=0.77110000
      -6: X=0.02272000 Y=0.47728000 Z=0.22890000
      -6: X=0.97728000 Y=0.52272000 Z=0.77110000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000