P   LATTICE,NONEQUIV.ATOMS   5   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.527664 10.418060 14.675613 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00220000 Y=0.00450000 Z=0.01070000
          MULT= 4          ISPLIT= 8
      -1: X=0.99780000 Y=0.99550000 Z=0.51070000
      -1: X=0.49780000 Y=0.50450000 Z=0.51070000
      -1: X=0.50220000 Y=0.49550000 Z=0.01070000
Nb         NPT=  781  R0=.000010000 RMT= 1.87        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=0.00480000 Y=0.49690000 Z=0.74870000
          MULT= 4          ISPLIT= 8
      -2: X=0.99520000 Y=0.50310000 Z=0.24870000
      -2: X=0.49520000 Y=0.99690000 Z=0.24870000
      -2: X=0.50480000 Y=0.00310000 Z=0.74870000
Na         NPT=  781  R0=.000100000 RMT= 2.21        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=0.01190000 Y=0.06090000 Z=0.25120000
          MULT= 4          ISPLIT= 8
      -3: X=0.98810000 Y=0.93910000 Z=0.75120000
      -3: X=0.48810000 Y=0.56090000 Z=0.75120000
      -3: X=0.51190000 Y=0.43910000 Z=0.25120000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.29560000 Y=0.21450000 Z=0.53170000
          MULT= 4          ISPLIT= 8
      -4: X=0.70440000 Y=0.78550000 Z=0.03170000
      -4: X=0.20440000 Y=0.71450000 Z=0.03170000
      -4: X=0.79560000 Y=0.28550000 Z=0.53170000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.22760000 Y=0.72230000 Z=0.46960000
          MULT= 4          ISPLIT= 8
      -5: X=0.77240000 Y=0.27770000 Z=0.96960000
      -5: X=0.27240000 Y=0.22230000 Z=0.96960000
      -5: X=0.72760000 Y=0.77770000 Z=0.46960000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000