P   LATTICE,NONEQUIV.ATOMS   8   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.982213 10.373463 28.162589 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06714000 Y=0.36160000 Z=0.14603000
          MULT= 8          ISPLIT= 8
      -1: X=0.93286000 Y=0.63840000 Z=0.85397000
      -1: X=0.56714000 Y=0.86160000 Z=0.35397000
      -1: X=0.43286000 Y=0.13840000 Z=0.64603000
      -1: X=0.43286000 Y=0.86160000 Z=0.14603000
      -1: X=0.56714000 Y=0.13840000 Z=0.85397000
      -1: X=0.93286000 Y=0.36160000 Z=0.35397000
      -1: X=0.06714000 Y=0.63840000 Z=0.64603000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        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=0.34369000 Y=0.31037000 Z=0.02817000
          MULT= 8          ISPLIT= 8
      -2: X=0.65631000 Y=0.68963000 Z=0.97183000
      -2: X=0.84369000 Y=0.81037000 Z=0.47183000
      -2: X=0.15631000 Y=0.18963000 Z=0.52817000
      -2: X=0.15631000 Y=0.81037000 Z=0.02817000
      -2: X=0.84369000 Y=0.18963000 Z=0.97183000
      -2: X=0.65631000 Y=0.31037000 Z=0.47183000
      -2: X=0.34369000 Y=0.68963000 Z=0.52817000
Al         NPT=  781  R0=.000100000 RMT= 1.63        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34459000 Y=0.36611000 Z=0.33398000
          MULT= 8          ISPLIT= 8
      -3: X=0.65541000 Y=0.63389000 Z=0.66602000
      -3: X=0.84459000 Y=0.86611000 Z=0.16602000
      -3: X=0.15541000 Y=0.13389000 Z=0.83398000
      -3: X=0.15541000 Y=0.86611000 Z=0.33398000
      -3: X=0.84459000 Y=0.13389000 Z=0.66602000
      -3: X=0.65541000 Y=0.36611000 Z=0.16602000
      -3: X=0.34459000 Y=0.63389000 Z=0.83398000
Sn         NPT=  781  R0=.000010000 RMT= 2.02        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16180000 Y=0.19120000 Z=0.40897000
          MULT= 8          ISPLIT= 8
      -4: X=0.83820000 Y=0.80880000 Z=0.59103000
      -4: X=0.66180000 Y=0.69120000 Z=0.09103000
      -4: X=0.33820000 Y=0.30880000 Z=0.90897000
      -4: X=0.33820000 Y=0.69120000 Z=0.40897000
      -4: X=0.66180000 Y=0.30880000 Z=0.59103000
      -4: X=0.83820000 Y=0.19120000 Z=0.09103000
      -4: X=0.16180000 Y=0.80880000 Z=0.90897000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.22770000 Y=0.07950000 Z=0.07144000
          MULT= 8          ISPLIT= 8
      -5: X=0.77230000 Y=0.92050000 Z=0.92856000
      -5: X=0.72770000 Y=0.57950000 Z=0.42856000
      -5: X=0.27230000 Y=0.42050000 Z=0.57144000
      -5: X=0.27230000 Y=0.57950000 Z=0.07144000
      -5: X=0.72770000 Y=0.42050000 Z=0.92856000
      -5: X=0.77230000 Y=0.07950000 Z=0.42856000
      -5: X=0.22770000 Y=0.92050000 Z=0.57144000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.33140000 Y=0.03650000 Z=0.27250000
          MULT= 8          ISPLIT= 8
      -6: X=0.66860000 Y=0.96350000 Z=0.72750000
      -6: X=0.83140000 Y=0.53650000 Z=0.22750000
      -6: X=0.16860000 Y=0.46350000 Z=0.77250000
      -6: X=0.16860000 Y=0.53650000 Z=0.27250000
      -6: X=0.83140000 Y=0.46350000 Z=0.72750000
      -6: X=0.66860000 Y=0.03650000 Z=0.22750000
      -6: X=0.33140000 Y=0.96350000 Z=0.77250000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -7: X=0.51560000 Y=0.23100000 Z=0.07402000
          MULT= 8          ISPLIT= 8
      -7: X=0.48440000 Y=0.76900000 Z=0.92598000
      -7: X=0.01560000 Y=0.73100000 Z=0.42598000
      -7: X=0.98440000 Y=0.26900000 Z=0.57402000
      -7: X=0.98440000 Y=0.73100000 Z=0.07402000
      -7: X=0.01560000 Y=0.26900000 Z=0.92598000
      -7: X=0.48440000 Y=0.23100000 Z=0.42598000
      -7: X=0.51560000 Y=0.76900000 Z=0.57402000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -8: X=0.00000000 Y=0.02500000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.97500000 Z=0.75000000
      -8: X=0.50000000 Y=0.52500000 Z=0.25000000
      -8: X=0.50000000 Y=0.47500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000