B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.808985 13.808985 23.112862 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 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
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.40        Z:  46.00000              
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.15038000 Y=0.65038000 Z=0.14138000
          MULT= 8          ISPLIT= 8
      -4: X=0.84962000 Y=0.34962000 Z=0.85862000
      -4: X=0.34962000 Y=0.15038000 Z=0.14138000
      -4: X=0.65038000 Y=0.84962000 Z=0.85862000
      -4: X=0.84962000 Y=0.34962000 Z=0.14138000
      -4: X=0.15038000 Y=0.65038000 Z=0.85862000
      -4: X=0.65038000 Y=0.84962000 Z=0.14138000
      -4: X=0.34962000 Y=0.15038000 Z=0.85862000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000