P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.704294 12.636599 12.782108 90.000000 90.000000110.450000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.40        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=0.01230000 Y=0.51900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.98770000 Y=0.48100000 Z=0.75000000
Pd         NPT=  781  R0=.000010000 RMT= 2.40        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  -3: X=0.49180000 Y=0.28180000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50820000 Y=0.71820000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14810000 Y=0.37040000 Z=0.00470000
          MULT= 4          ISPLIT= 8
      -4: X=0.85190000 Y=0.62960000 Z=0.99530000
      -4: X=0.85190000 Y=0.62960000 Z=0.50470000
      -4: X=0.14810000 Y=0.37040000 Z=0.49530000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.78860000 Y=0.02900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.21140000 Y=0.97100000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50720000 Y=0.79450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.49280000 Y=0.20550000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000