CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 37.720823 12.651716 28.241957 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.41980000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.58020000 Y=0.00000000 Z=0.00000000
      -1: X=0.41980000 Y=0.50000000 Z=0.50000000
      -1: X=0.58020000 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  -2: X=0.25540000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.74460000 Y=0.00000000 Z=0.00000000
      -2: X=0.25540000 Y=0.50000000 Z=0.50000000
      -2: 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  -3: X=0.00000000 Y=0.24010000 Z=0.31892000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75990000 Z=0.68108000
      -3: X=0.00000000 Y=0.74010000 Z=0.18108000
      -3: X=0.00000000 Y=0.25990000 Z=0.81892000
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  -4: X=0.16665000 Y=0.27129000 Z=0.17677000
          MULT= 8          ISPLIT= 8
      -4: X=0.83335000 Y=0.72871000 Z=0.82323000
      -4: X=0.16665000 Y=0.77129000 Z=0.32323000
      -4: X=0.83335000 Y=0.22871000 Z=0.67677000
      -4: X=0.83335000 Y=0.27129000 Z=0.17677000
      -4: X=0.16665000 Y=0.72871000 Z=0.82323000
      -4: X=0.83335000 Y=0.77129000 Z=0.32323000
      -4: X=0.16665000 Y=0.22871000 Z=0.67677000
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
ATOM  -5: X=0.08795000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.91205000 Y=0.00000000 Z=0.00000000
      -5: X=0.08795000 Y=0.50000000 Z=0.50000000
      -5: X=0.91205000 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  -6: X=0.00000000 Y=0.20140000 Z=0.09279000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.79860000 Z=0.90721000
      -6: X=0.00000000 Y=0.70140000 Z=0.40721000
      -6: X=0.00000000 Y=0.29860000 Z=0.59279000
P          NPT=  781  R0=.000100000 RMT= 2.08        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.34296000 Y=0.28130000 Z=0.10338000
          MULT= 8          ISPLIT= 8
      -7: X=0.65704000 Y=0.71870000 Z=0.89662000
      -7: X=0.34296000 Y=0.78130000 Z=0.39662000
      -7: X=0.65704000 Y=0.21870000 Z=0.60338000
      -7: X=0.65704000 Y=0.28130000 Z=0.10338000
      -7: X=0.34296000 Y=0.71870000 Z=0.89662000
      -7: X=0.65704000 Y=0.78130000 Z=0.39662000
      -7: X=0.34296000 Y=0.21870000 Z=0.60338000
P          NPT=  781  R0=.000100000 RMT= 2.08        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000