P   LATTICE,NONEQUIV.ATOMS   7   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.911607 26.631721  8.523421 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32800000 Y=0.01500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.67200000 Y=0.98500000 Z=0.00000000
      -1: X=0.17200000 Y=0.51500000 Z=0.00000000
      -1: X=0.82800000 Y=0.48500000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09800000 Y=0.24800000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.90200000 Y=0.75200000 Z=0.00000000
      -3: X=0.40200000 Y=0.74800000 Z=0.00000000
      -3: X=0.59800000 Y=0.25200000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.34000000 Y=0.32300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.66000000 Y=0.67700000 Z=0.00000000
      -4: X=0.16000000 Y=0.82300000 Z=0.00000000
      -4: X=0.84000000 Y=0.17700000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.15600000 Y=0.09300000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -5: X=0.84400000 Y=0.90700000 Z=0.50000000
      -5: X=0.34400000 Y=0.59300000 Z=0.50000000
      -5: X=0.65600000 Y=0.40700000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.02400000 Y=0.39900000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -6: X=0.97600000 Y=0.60100000 Z=0.50000000
      -6: X=0.47600000 Y=0.89900000 Z=0.50000000
      -6: X=0.52400000 Y=0.10100000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33100000 Y=0.21200000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -7: X=0.66900000 Y=0.78800000 Z=0.50000000
      -7: X=0.16900000 Y=0.71200000 Z=0.50000000
      -7: X=0.83100000 Y=0.28800000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.35        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000