P   LATTICE,NONEQUIV.ATOMS   7   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.469179 15.049779 12.071571 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.76720000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.23280000
      -1: X=0.75000000 Y=0.50000000 Z=0.26720000
      -1: X=0.25000000 Y=0.50000000 Z=0.73280000
K          NPT=  781  R0=.000050000 RMT= 2.48        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.40337000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.59663000 Y=0.75000000 Z=0.75000000
      -2: X=0.90337000 Y=0.25000000 Z=0.75000000
      -2: X=0.09663000 Y=0.75000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 2.12        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09436000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.90564000 Y=0.75000000 Z=0.75000000
      -3: X=0.59436000 Y=0.25000000 Z=0.75000000
      -3: X=0.40564000 Y=0.75000000 Z=0.25000000
Hf         NPT=  781  R0=.000005000 RMT= 1.96        Z:  72.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.24650000 Y=0.29220000 Z=0.06730000
          MULT= 8          ISPLIT= 8
      -4: X=0.75350000 Y=0.70780000 Z=0.93270000
      -4: X=0.74650000 Y=0.29220000 Z=0.93270000
      -4: X=0.25350000 Y=0.70780000 Z=0.06730000
      -4: X=0.75350000 Y=0.79220000 Z=0.56730000
      -4: X=0.24650000 Y=0.20780000 Z=0.43270000
      -4: X=0.25350000 Y=0.79220000 Z=0.43270000
      -4: X=0.74650000 Y=0.20780000 Z=0.56730000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10520000 Y=0.01100000 Z=0.15000000
          MULT= 8          ISPLIT= 8
      -5: X=0.89480000 Y=0.98900000 Z=0.85000000
      -5: X=0.60520000 Y=0.01100000 Z=0.85000000
      -5: X=0.39480000 Y=0.98900000 Z=0.15000000
      -5: X=0.89480000 Y=0.51100000 Z=0.65000000
      -5: X=0.10520000 Y=0.48900000 Z=0.35000000
      -5: X=0.39480000 Y=0.51100000 Z=0.35000000
      -5: X=0.60520000 Y=0.48900000 Z=0.65000000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.91950000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.08050000 Y=0.75000000 Z=0.75000000
      -6: X=0.41950000 Y=0.25000000 Z=0.75000000
      -6: X=0.58050000 Y=0.75000000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.04680000 Y=0.18150000 Z=0.54900000
          MULT= 8          ISPLIT= 8
      -7: X=0.95320000 Y=0.81850000 Z=0.45100000
      -7: X=0.54680000 Y=0.18150000 Z=0.45100000
      -7: X=0.45320000 Y=0.81850000 Z=0.54900000
      -7: X=0.95320000 Y=0.68150000 Z=0.04900000
      -7: X=0.04680000 Y=0.31850000 Z=0.95100000
      -7: X=0.45320000 Y=0.68150000 Z=0.95100000
      -7: X=0.54680000 Y=0.31850000 Z=0.04900000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000