R   LATTICE,NONEQUIV.ATOMS   3  161 R3c                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.374031 10.374031 25.930068 90.000000 90.000000120.000000                   
ATOM  -1: X=0.27200000 Y=0.27200000 Z=0.27200000
          MULT= 2          ISPLIT= 4
      -1: X=0.77200000 Y=0.77200000 Z=0.77200000
Na         NPT=  781  R0=.000100000 RMT= 2.28        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=0.01650000 Y=0.01650000 Z=0.01650000
          MULT= 2          ISPLIT= 4
      -2: X=0.51650000 Y=0.51650000 Z=0.51650000
Nb         NPT=  781  R0=.000010000 RMT= 1.76        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  -3: X=0.17800000 Y=0.30200000 Z=0.76000000
          MULT= 6          ISPLIT= 8
      -3: X=0.30200000 Y=0.76000000 Z=0.17800000
      -3: X=0.67800000 Y=0.26000000 Z=0.80200000
      -3: X=0.76000000 Y=0.17800000 Z=0.30200000
      -3: X=0.26000000 Y=0.80200000 Z=0.67800000
      -3: X=0.80200000 Y=0.67800000 Z=0.26000000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000