R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.069785 10.069785 29.516957 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14867000 Y=0.14867000 Z=0.14867000
          MULT= 2          ISPLIT= 4
      -1: X=0.85133000 Y=0.85133000 Z=0.85133000
Nb         NPT=  781  R0=.000010000 RMT= 1.86        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=0.35846000 Y=0.35846000 Z=0.35846000
          MULT= 2          ISPLIT= 4
      -2: X=0.64154000 Y=0.64154000 Z=0.64154000
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=0.43782000 Y=0.81491000 Z=0.03242000
          MULT= 6          ISPLIT= 8
      -3: X=0.56218000 Y=0.18509000 Z=0.96758000
      -3: X=0.81491000 Y=0.03242000 Z=0.43782000
      -3: X=0.18509000 Y=0.96758000 Z=0.56218000
      -3: X=0.03242000 Y=0.43782000 Z=0.81491000
      -3: X=0.96758000 Y=0.56218000 Z=0.18509000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000