P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.326684 12.326684 11.018993 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
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  -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= 2.00        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=0.67370000 Y=0.17370000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -3: X=0.32630000 Y=0.82630000 Z=0.50000000
      -3: X=0.82630000 Y=0.67370000 Z=0.50000000
      -3: X=0.17370000 Y=0.32630000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT= 2.19        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.14120000 Y=0.64120000 Z=0.25620000
          MULT= 8          ISPLIT= 8
      -4: X=0.85880000 Y=0.35880000 Z=0.74380000
      -4: X=0.35880000 Y=0.14120000 Z=0.25620000
      -4: X=0.64120000 Y=0.85880000 Z=0.74380000
      -4: X=0.85880000 Y=0.35880000 Z=0.25620000
      -4: X=0.14120000 Y=0.64120000 Z=0.74380000
      -4: X=0.64120000 Y=0.85880000 Z=0.25620000
      -4: X=0.35880000 Y=0.14120000 Z=0.74380000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000