CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 38.616554 12.887932 29.009186 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08830000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.91170000 Y=0.00000000 Z=0.00000000
      -1: X=0.08830000 Y=0.50000000 Z=0.50000000
      -1: X=0.91170000 Y=0.50000000 Z=0.50000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.20360000 Z=0.09490000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.79640000 Z=0.90510000
      -2: X=0.00000000 Y=0.70360000 Z=0.40510000
      -2: X=0.00000000 Y=0.29640000 Z=0.59490000
As         NPT=  781  R0=.000050000 RMT= 2.41        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.34190000 Y=0.27860000 Z=0.10570000
          MULT= 8          ISPLIT= 8
      -3: X=0.65810000 Y=0.72140000 Z=0.89430000
      -3: X=0.34190000 Y=0.77860000 Z=0.39430000
      -3: X=0.65810000 Y=0.22140000 Z=0.60570000
      -3: X=0.65810000 Y=0.27860000 Z=0.10570000
      -3: X=0.34190000 Y=0.72140000 Z=0.89430000
      -3: X=0.65810000 Y=0.77860000 Z=0.39430000
      -3: X=0.34190000 Y=0.22140000 Z=0.60570000
As         NPT=  781  R0=.000050000 RMT= 2.41        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  -4: X=0.41920000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.58080000 Y=0.00000000 Z=0.00000000
      -4: X=0.41920000 Y=0.50000000 Z=0.50000000
      -4: X=0.58080000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25540000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.74460000 Y=0.00000000 Z=0.00000000
      -5: X=0.25540000 Y=0.50000000 Z=0.50000000
      -5: X=0.74460000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.23960000 Z=0.32030000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.76040000 Z=0.67970000
      -6: X=0.00000000 Y=0.73960000 Z=0.17970000
      -6: X=0.00000000 Y=0.26040000 Z=0.82030000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.16600000 Y=0.26930000 Z=0.17580000
          MULT= 8          ISPLIT= 8
      -7: X=0.83400000 Y=0.73070000 Z=0.82420000
      -7: X=0.16600000 Y=0.76930000 Z=0.32420000
      -7: X=0.83400000 Y=0.23070000 Z=0.67580000
      -7: X=0.83400000 Y=0.26930000 Z=0.17580000
      -7: X=0.16600000 Y=0.73070000 Z=0.82420000
      -7: X=0.83400000 Y=0.76930000 Z=0.32420000
      -7: X=0.16600000 Y=0.23070000 Z=0.67580000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000