B   LATTICE,NONEQUIV.ATOMS   3  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 11.742947 11.742947 10.348140 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Nb         NPT=  781  R0=.000010000 RMT= 2.01        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
B          NPT=  781  R0=.000100000 RMT= 1.28        Z:   5.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.07120000 Z=0.19940000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.92880000 Z=0.80060000
      -3: X=0.17880000 Y=0.75000000 Z=0.44940000
      -3: X=0.32120000 Y=0.75000000 Z=0.05060000
      -3: X=0.00000000 Y=0.42880000 Z=0.19940000
      -3: X=0.00000000 Y=0.57120000 Z=0.80060000
      -3: X=0.32120000 Y=0.25000000 Z=0.94940000
      -3: X=0.17880000 Y=0.25000000 Z=0.55060000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000