P   LATTICE,NONEQUIV.ATOMS   5  125 P4/nbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.776319 18.776319  9.757034 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.52340000 Y=0.25000000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -1: X=0.47660000 Y=0.75000000 Z=0.50000000
      -1: X=0.25000000 Y=0.52340000 Z=0.50000000
      -1: X=0.75000000 Y=0.47660000 Z=0.50000000
      -1: X=0.97660000 Y=0.25000000 Z=0.50000000
      -1: X=0.02340000 Y=0.75000000 Z=0.50000000
      -1: X=0.25000000 Y=0.97660000 Z=0.50000000
      -1: X=0.75000000 Y=0.02340000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 1.61        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        Z:  20.00000              
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= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.15        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  -4: X=0.05430000 Y=0.17860000 Z=0.25870000
          MULT=16          ISPLIT= 8
      -4: X=0.94570000 Y=0.82140000 Z=0.74130000
      -4: X=0.32140000 Y=0.05430000 Z=0.25870000
      -4: X=0.67860000 Y=0.94570000 Z=0.74130000
      -4: X=0.94570000 Y=0.67860000 Z=0.25870000
      -4: X=0.05430000 Y=0.32140000 Z=0.74130000
      -4: X=0.44570000 Y=0.32140000 Z=0.25870000
      -4: X=0.55430000 Y=0.67860000 Z=0.74130000
      -4: X=0.82140000 Y=0.94570000 Z=0.25870000
      -4: X=0.17860000 Y=0.05430000 Z=0.74130000
      -4: X=0.17860000 Y=0.44570000 Z=0.25870000
      -4: X=0.82140000 Y=0.55430000 Z=0.74130000
      -4: X=0.55430000 Y=0.82140000 Z=0.25870000
      -4: X=0.44570000 Y=0.17860000 Z=0.74130000
      -4: X=0.67860000 Y=0.55430000 Z=0.25870000
      -4: X=0.32140000 Y=0.44570000 Z=0.74130000
O          NPT=  781  R0=.000100000 RMT= 1.45        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=0.36540000 Y=0.63460000 Z=0.35440000
          MULT= 8          ISPLIT= 8
      -5: X=0.63460000 Y=0.36540000 Z=0.64560000
      -5: X=0.86540000 Y=0.36540000 Z=0.35440000
      -5: X=0.13460000 Y=0.63460000 Z=0.64560000
      -5: X=0.63460000 Y=0.13460000 Z=0.35440000
      -5: X=0.36540000 Y=0.86540000 Z=0.64560000
      -5: X=0.13460000 Y=0.86540000 Z=0.35440000
      -5: X=0.86540000 Y=0.13460000 Z=0.64560000
O          NPT=  781  R0=.000100000 RMT= 1.45        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000