B   LATTICE,NONEQUIV.ATOMS   4   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.795147 28.890133 12.817823 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21610000 Y=0.10102000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.78390000 Y=0.89898000 Z=0.00000000
      -2: X=0.78390000 Y=0.10102000 Z=0.50000000
      -2: X=0.21610000 Y=0.89898000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.49        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23903000 Y=0.32390000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76097000 Y=0.67610000 Z=0.00000000
      -3: X=0.76097000 Y=0.32390000 Z=0.50000000
      -3: X=0.23903000 Y=0.67610000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000