B   LATTICE,NONEQUIV.ATOMS   2  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.769257 12.769257 24.002356 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18997000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.81003000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.93997000 Z=0.50000000
      -1: X=0.25000000 Y=0.56003000 Z=0.00000000
      -1: X=0.81003000 Y=0.50000000 Z=0.25000000
      -1: X=0.18997000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.06003000 Z=0.00000000
      -1: X=0.25000000 Y=0.43997000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.06279000 Y=0.31279000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.93721000 Y=0.68721000 Z=0.87500000
      -2: X=0.93721000 Y=0.81279000 Z=0.37500000
      -2: X=0.56279000 Y=0.68721000 Z=0.12500000
      -2: X=0.93721000 Y=0.31279000 Z=0.62500000
      -2: X=0.06279000 Y=0.68721000 Z=0.37500000
      -2: X=0.93721000 Y=0.18721000 Z=0.12500000
      -2: X=0.06279000 Y=0.81279000 Z=0.87500000
C          NPT=  781  R0=.000100000 RMT= 1.13        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000