P   LATTICE,NONEQUIV.ATOMS   6   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.400393 21.591066  9.224887 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.26963000 Y=0.41132000 Z=0.28003000
          MULT= 8          ISPLIT= 8
      -1: X=0.73037000 Y=0.58868000 Z=0.71997000
      -1: X=0.76963000 Y=0.91132000 Z=0.21997000
      -1: X=0.23037000 Y=0.08868000 Z=0.78003000
      -1: X=0.23037000 Y=0.91132000 Z=0.28003000
      -1: X=0.76963000 Y=0.08868000 Z=0.71997000
      -1: X=0.73037000 Y=0.41132000 Z=0.21997000
      -1: X=0.26963000 Y=0.58868000 Z=0.78003000
As         NPT=  781  R0=.000050000 RMT= 1.61        Z:  33.00000              
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=0.18932000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.81068000 Z=0.75000000
      -2: X=0.50000000 Y=0.68932000 Z=0.25000000
      -2: X=0.50000000 Y=0.31068000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.60996000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.39004000 Z=0.75000000
      -3: X=0.50000000 Y=0.10996000 Z=0.25000000
      -3: X=0.50000000 Y=0.89004000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.12590000 Y=0.39970000 Z=0.25110000
          MULT= 8          ISPLIT= 8
      -4: X=0.87410000 Y=0.60030000 Z=0.74890000
      -4: X=0.62590000 Y=0.89970000 Z=0.24890000
      -4: X=0.37410000 Y=0.10030000 Z=0.75110000
      -4: X=0.37410000 Y=0.89970000 Z=0.25110000
      -4: X=0.62590000 Y=0.10030000 Z=0.74890000
      -4: X=0.87410000 Y=0.39970000 Z=0.24890000
      -4: X=0.12590000 Y=0.60030000 Z=0.75110000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -5: X=0.36110000 Y=0.30540000 Z=0.21090000
          MULT= 8          ISPLIT= 8
      -5: X=0.63890000 Y=0.69460000 Z=0.78910000
      -5: X=0.86110000 Y=0.80540000 Z=0.28910000
      -5: X=0.13890000 Y=0.19460000 Z=0.71090000
      -5: X=0.13890000 Y=0.80540000 Z=0.21090000
      -5: X=0.86110000 Y=0.19460000 Z=0.78910000
      -5: X=0.63890000 Y=0.30540000 Z=0.28910000
      -5: X=0.36110000 Y=0.69460000 Z=0.71090000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -6: X=0.18640000 Y=0.04110000 Z=0.10970000
          MULT= 8          ISPLIT= 8
      -6: X=0.81360000 Y=0.95890000 Z=0.89030000
      -6: X=0.68640000 Y=0.54110000 Z=0.39030000
      -6: X=0.31360000 Y=0.45890000 Z=0.60970000
      -6: X=0.31360000 Y=0.54110000 Z=0.10970000
      -6: X=0.68640000 Y=0.45890000 Z=0.89030000
      -6: X=0.81360000 Y=0.04110000 Z=0.39030000
      -6: X=0.18640000 Y=0.95890000 Z=0.60970000
O          NPT=  781  R0=.000100000 RMT= 1.45        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000