P   LATTICE,NONEQUIV.ATOMS   5   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.861201 12.086499 15.360828 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.51123000 Y=0.51321000 Z=0.25270000
          MULT= 4          ISPLIT= 8
      -1: X=0.48877000 Y=0.48679000 Z=0.75270000
      -1: X=0.98877000 Y=0.01321000 Z=0.75270000
      -1: X=0.01123000 Y=0.98679000 Z=0.25270000
I          NPT=  781  R0=.000010000 RMT= 1.82        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49840000 Y=0.01510000 Z=0.00230000
          MULT= 4          ISPLIT= 8
      -2: X=0.50160000 Y=0.98490000 Z=0.50230000
      -2: X=0.00160000 Y=0.51510000 Z=0.50230000
      -2: X=0.99840000 Y=0.48490000 Z=0.00230000
Na         NPT=  781  R0=.000100000 RMT= 2.14        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  -3: X=0.21230000 Y=0.59840000 Z=0.24480000
          MULT= 4          ISPLIT= 8
      -3: X=0.78770000 Y=0.40160000 Z=0.74480000
      -3: X=0.28770000 Y=0.09840000 Z=0.74480000
      -3: X=0.71230000 Y=0.90160000 Z=0.24480000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -4: X=0.36670000 Y=0.34440000 Z=0.57920000
          MULT= 4          ISPLIT= 8
      -4: X=0.63330000 Y=0.65560000 Z=0.07920000
      -4: X=0.13330000 Y=0.84440000 Z=0.07920000
      -4: X=0.86670000 Y=0.15560000 Z=0.57920000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.13800000 Y=0.82930000 Z=0.41280000
          MULT= 4          ISPLIT= 8
      -5: X=0.86200000 Y=0.17070000 Z=0.91280000
      -5: X=0.36200000 Y=0.32930000 Z=0.91280000
      -5: X=0.63800000 Y=0.67070000 Z=0.41280000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000