B   LATTICE,NONEQUIV.ATOMS   6   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.841110 19.483076 13.308585 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 1.81        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=0.24761000 Y=0.23570000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.75239000 Y=0.76430000 Z=0.00000000
      -2: X=0.75239000 Y=0.23570000 Z=0.50000000
      -2: X=0.24761000 Y=0.76430000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.81        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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.32        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  -4: X=0.01670000 Y=0.16700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.98330000 Y=0.83300000 Z=0.00000000
      -4: X=0.98330000 Y=0.16700000 Z=0.50000000
      -4: X=0.01670000 Y=0.83300000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.39330000 Y=0.07630000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.60670000 Y=0.92370000 Z=0.00000000
      -5: X=0.60670000 Y=0.07630000 Z=0.50000000
      -5: X=0.39330000 Y=0.92370000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -6: X=0.30150000 Y=0.13890000 Z=0.29960000
          MULT= 8          ISPLIT= 8
      -6: X=0.69850000 Y=0.86110000 Z=0.70040000
      -6: X=0.30150000 Y=0.13890000 Z=0.70040000
      -6: X=0.69850000 Y=0.86110000 Z=0.29960000
      -6: X=0.69850000 Y=0.13890000 Z=0.79960000
      -6: X=0.30150000 Y=0.86110000 Z=0.20040000
      -6: X=0.69850000 Y=0.13890000 Z=0.20040000
      -6: X=0.30150000 Y=0.86110000 Z=0.79960000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000