P   LATTICE,NONEQUIV.ATOMS   6   56 Pccn                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.414711 20.630140 19.622916 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.39        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08660000 Y=0.59500000 Z=0.08108000
          MULT= 8          ISPLIT= 8
      -2: X=0.91340000 Y=0.40500000 Z=0.91892000
      -2: X=0.58660000 Y=0.09500000 Z=0.91892000
      -2: X=0.41340000 Y=0.90500000 Z=0.08108000
      -2: X=0.41340000 Y=0.59500000 Z=0.58108000
      -2: X=0.58660000 Y=0.40500000 Z=0.41892000
      -2: X=0.91340000 Y=0.09500000 Z=0.41892000
      -2: X=0.08660000 Y=0.90500000 Z=0.58108000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39240000 Y=0.10270000 Z=0.00740000
          MULT= 8          ISPLIT= 8
      -3: X=0.60760000 Y=0.89730000 Z=0.99260000
      -3: X=0.89240000 Y=0.60270000 Z=0.99260000
      -3: X=0.10760000 Y=0.39730000 Z=0.00740000
      -3: X=0.10760000 Y=0.10270000 Z=0.50740000
      -3: X=0.89240000 Y=0.89730000 Z=0.49260000
      -3: X=0.60760000 Y=0.60270000 Z=0.49260000
      -3: X=0.39240000 Y=0.39730000 Z=0.50740000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.63580000 Y=0.35630000 Z=0.10860000
          MULT= 8          ISPLIT= 8
      -4: X=0.36420000 Y=0.64370000 Z=0.89140000
      -4: X=0.13580000 Y=0.85630000 Z=0.89140000
      -4: X=0.86420000 Y=0.14370000 Z=0.10860000
      -4: X=0.86420000 Y=0.35630000 Z=0.60860000
      -4: X=0.13580000 Y=0.64370000 Z=0.39140000
      -4: X=0.36420000 Y=0.85630000 Z=0.39140000
      -4: X=0.63580000 Y=0.14370000 Z=0.60860000
Cl         NPT=  781  R0=.000100000 RMT= 2.16        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.07680000 Y=0.33360000 Z=0.35880000
          MULT= 8          ISPLIT= 8
      -5: X=0.92320000 Y=0.66640000 Z=0.64120000
      -5: X=0.57680000 Y=0.83360000 Z=0.64120000
      -5: X=0.42320000 Y=0.16640000 Z=0.35880000
      -5: X=0.42320000 Y=0.33360000 Z=0.85880000
      -5: X=0.57680000 Y=0.66640000 Z=0.14120000
      -5: X=0.92320000 Y=0.83360000 Z=0.14120000
      -5: X=0.07680000 Y=0.16640000 Z=0.85880000
Cl         NPT=  781  R0=.000100000 RMT= 2.16        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.16500000 Y=0.04450000 Z=0.15950000
          MULT= 8          ISPLIT= 8
      -6: X=0.83500000 Y=0.95550000 Z=0.84050000
      -6: X=0.66500000 Y=0.54450000 Z=0.84050000
      -6: X=0.33500000 Y=0.45550000 Z=0.15950000
      -6: X=0.33500000 Y=0.04450000 Z=0.65950000
      -6: X=0.66500000 Y=0.95550000 Z=0.34050000
      -6: X=0.83500000 Y=0.54450000 Z=0.34050000
      -6: X=0.16500000 Y=0.45550000 Z=0.65950000
Cl         NPT=  781  R0=.000100000 RMT= 2.16        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000