B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.264323 12.264323 46.067744 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.31580000
          MULT= 8          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.68420000
      -1: X=0.00000000 Y=0.75000000 Z=0.56580000
      -1: X=0.50000000 Y=0.75000000 Z=0.93420000
      -1: X=0.00000000 Y=0.25000000 Z=0.81580000
      -1: X=0.00000000 Y=0.75000000 Z=0.18420000
      -1: X=0.00000000 Y=0.75000000 Z=0.06580000
      -1: X=0.50000000 Y=0.75000000 Z=0.43420000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.75000000
      -2: X=0.25000000 Y=0.00000000 Z=0.50000000
      -2: X=0.25000000 Y=0.50000000 Z=0.00000000
      -2: X=0.75000000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.00000000 Z=0.00000000
      -2: X=0.25000000 Y=0.50000000 Z=0.50000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.15800000 Y=0.40800000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -3: X=0.84200000 Y=0.59200000 Z=0.87500000
      -3: X=0.84200000 Y=0.90800000 Z=0.37500000
      -3: X=0.65800000 Y=0.59200000 Z=0.12500000
      -3: X=0.84200000 Y=0.40800000 Z=0.62500000
      -3: X=0.15800000 Y=0.59200000 Z=0.37500000
      -3: X=0.84200000 Y=0.09200000 Z=0.12500000
      -3: X=0.15800000 Y=0.90800000 Z=0.87500000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000