P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.215903 11.215903 16.154702 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.26495000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.73505000
Nb         NPT=  781  R0=.000010000 RMT= 1.69        Z:  41.00000              
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=0.73403000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.26597000
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  -4: X=0.25000000 Y=0.25000000 Z=0.01347000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.98653000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.02055000 Y=0.02055000 Z=0.22815000
          MULT= 8          ISPLIT= 8
      -5: X=0.97945000 Y=0.97945000 Z=0.77185000
      -5: X=0.47945000 Y=0.02055000 Z=0.22815000
      -5: X=0.52055000 Y=0.97945000 Z=0.77185000
      -5: X=0.47945000 Y=0.47945000 Z=0.22815000
      -5: X=0.52055000 Y=0.52055000 Z=0.77185000
      -5: X=0.02055000 Y=0.47945000 Z=0.22815000
      -5: X=0.97945000 Y=0.52055000 Z=0.77185000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.25000000 Z=0.46490000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.75000000 Z=0.53510000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000