R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.294396 17.294396 43.671002 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.35        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=0.14360000 Y=0.14360000 Z=0.14360000
          MULT= 4          ISPLIT= 4
      -2: X=0.85640000 Y=0.85640000 Z=0.85640000
      -2: X=0.64360000 Y=0.64360000 Z=0.64360000
      -2: X=0.35640000 Y=0.35640000 Z=0.35640000
Zr         NPT=  781  R0=.000010000 RMT= 2.02        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.54030000 Y=0.95970000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.45970000 Y=0.04030000 Z=0.75000000
      -3: X=0.95970000 Y=0.25000000 Z=0.54030000
      -3: X=0.04030000 Y=0.75000000 Z=0.45970000
      -3: X=0.25000000 Y=0.54030000 Z=0.95970000
      -3: X=0.75000000 Y=0.45970000 Z=0.04030000
As         NPT=  781  R0=.000050000 RMT= 1.64        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.20730000 Y=0.37130000 Z=0.99200000
          MULT=12          ISPLIT= 8
      -4: X=0.79270000 Y=0.62870000 Z=0.00800000
      -4: X=0.37130000 Y=0.99200000 Z=0.20730000
      -4: X=0.62870000 Y=0.00800000 Z=0.79270000
      -4: X=0.70730000 Y=0.49200000 Z=0.87130000
      -4: X=0.29270000 Y=0.50800000 Z=0.12870000
      -4: X=0.99200000 Y=0.20730000 Z=0.37130000
      -4: X=0.00800000 Y=0.79270000 Z=0.62870000
      -4: X=0.49200000 Y=0.87130000 Z=0.70730000
      -4: X=0.50800000 Y=0.12870000 Z=0.29270000
      -4: X=0.87130000 Y=0.70730000 Z=0.49200000
      -4: X=0.12870000 Y=0.29270000 Z=0.50800000
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=0.26880000 Y=0.05890000 Z=0.92220000
          MULT=12          ISPLIT= 8
      -5: X=0.73120000 Y=0.94110000 Z=0.07780000
      -5: X=0.05890000 Y=0.92220000 Z=0.26880000
      -5: X=0.94110000 Y=0.07780000 Z=0.73120000
      -5: X=0.76880000 Y=0.42220000 Z=0.55890000
      -5: X=0.23120000 Y=0.57780000 Z=0.44110000
      -5: X=0.92220000 Y=0.26880000 Z=0.05890000
      -5: X=0.07780000 Y=0.73120000 Z=0.94110000
      -5: X=0.42220000 Y=0.55890000 Z=0.76880000
      -5: X=0.57780000 Y=0.44110000 Z=0.23120000
      -5: X=0.55890000 Y=0.76880000 Z=0.42220000
      -5: X=0.44110000 Y=0.23120000 Z=0.57780000
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