P   LATTICE,NONEQUIV.ATOMS   5   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.418060 10.382344 14.646889 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02000000 Y=0.00000000 Z=0.72000000
          MULT= 4          ISPLIT= 8
      -1: X=0.98000000 Y=0.00000000 Z=0.22000000
      -1: X=0.48000000 Y=0.50000000 Z=0.22000000
      -1: X=0.52000000 Y=0.50000000 Z=0.72000000
Na         NPT=  781  R0=.000100000 RMT= 2.12        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=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Ta         NPT=  781  R0=.000005000 RMT= 1.88        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.48000000 Y=0.02000000 Z=0.24000000
          MULT= 4          ISPLIT= 8
      -3: X=0.52000000 Y=0.98000000 Z=0.74000000
      -3: X=0.02000000 Y=0.52000000 Z=0.74000000
      -3: X=0.98000000 Y=0.48000000 Z=0.24000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.29000000 Y=0.29000000 Z=0.53000000
          MULT= 4          ISPLIT= 8
      -4: X=0.71000000 Y=0.71000000 Z=0.03000000
      -4: X=0.21000000 Y=0.79000000 Z=0.03000000
      -4: X=0.79000000 Y=0.21000000 Z=0.53000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.21000000 Y=0.79000000 Z=0.44000000
          MULT= 4          ISPLIT= 8
      -5: X=0.79000000 Y=0.21000000 Z=0.94000000
      -5: X=0.29000000 Y=0.29000000 Z=0.94000000
      -5: X=0.71000000 Y=0.71000000 Z=0.44000000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000