P   LATTICE,NONEQUIV.ATOMS   4   61 Pbca    
MODE OF CALC=RELA unit=bohr
 10.353809 10.395383 21.881139 90.000000 90.000000 90.000000
ATOM  -1: X=0.00730000 Y=0.46390000 Z=0.15860000
          MULT= 8          ISPLIT=15
      -1: X=0.99270000 Y=0.53610000 Z=0.84140000
      -1: X=0.50730000 Y=0.46390000 Z=0.34140000
      -1: X=0.49270000 Y=0.53610000 Z=0.65860000
      -1: X=0.49270000 Y=0.96390000 Z=0.15860000
      -1: X=0.50730000 Y=0.03610000 Z=0.84140000
      -1: X=0.99270000 Y=0.96390000 Z=0.34140000
      -1: X=0.00730000 Y=0.03610000 Z=0.65860000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.32400000 Y=0.17600000 Z=0.00700000
          MULT= 8          ISPLIT=15
      -3: X=0.67600000 Y=0.82400000 Z=0.99300000
      -3: X=0.82400000 Y=0.17600000 Z=0.49300000
      -3: X=0.17600000 Y=0.82400000 Z=0.50700000
      -3: X=0.17600000 Y=0.67600000 Z=0.00700000
      -3: X=0.82400000 Y=0.32400000 Z=0.99300000
      -3: X=0.67600000 Y=0.67600000 Z=0.49300000
      -3: X=0.32400000 Y=0.32400000 Z=0.50700000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25700000 Y=0.22900000 Z=0.28200000
          MULT= 8          ISPLIT=15
      -4: X=0.74300000 Y=0.77100000 Z=0.71800000
      -4: X=0.75700000 Y=0.22900000 Z=0.21800000
      -4: X=0.24300000 Y=0.77100000 Z=0.78200000
      -4: X=0.24300000 Y=0.72900000 Z=0.28200000
      -4: X=0.75700000 Y=0.27100000 Z=0.71800000
      -4: X=0.74300000 Y=0.72900000 Z=0.21800000
      -4: X=0.25700000 Y=0.27100000 Z=0.78200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000