P   LATTICE,NONEQUIV.ATOMS   9   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.298768 11.338357 15.354025 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13719000 Y=0.04873000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.86281000 Y=0.95127000 Z=0.00000000
      -1: X=0.36281000 Y=0.54873000 Z=0.00000000
      -1: X=0.63719000 Y=0.45127000 Z=0.50000000
Sn         NPT=  781  R0=.000010000 RMT= 1.92        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  -2: X=0.04220000 Y=0.53620000 Z=0.24380000
          MULT= 4          ISPLIT= 8
      -2: X=0.95780000 Y=0.46380000 Z=0.74380000
      -2: X=0.45780000 Y=0.03620000 Z=0.74380000
      -2: X=0.54220000 Y=0.96380000 Z=0.24380000
K          NPT=  781  R0=.000050000 RMT= 2.49        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  -3: X=0.14950000 Y=0.05270000 Z=0.00030000
          MULT= 4          ISPLIT= 8
      -3: X=0.85050000 Y=0.94730000 Z=0.50030000
      -3: X=0.35050000 Y=0.55270000 Z=0.50030000
      -3: X=0.64950000 Y=0.44730000 Z=0.00030000
Na         NPT=  781  R0=.000100000 RMT= 2.02        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12810000 Y=0.14510000 Z=0.72950000
          MULT= 4          ISPLIT= 8
      -4: X=0.87190000 Y=0.85490000 Z=0.22950000
      -4: X=0.37190000 Y=0.64510000 Z=0.22950000
      -4: X=0.62810000 Y=0.35490000 Z=0.72950000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21910000 Y=0.40000000 Z=0.04290000
          MULT= 4          ISPLIT= 8
      -5: X=0.78090000 Y=0.60000000 Z=0.54290000
      -5: X=0.28090000 Y=0.90000000 Z=0.54290000
      -5: X=0.71910000 Y=0.10000000 Z=0.04290000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.64070000 Y=0.54680000 Z=0.26940000
          MULT= 4          ISPLIT= 8
      -6: X=0.35930000 Y=0.45320000 Z=0.76940000
      -6: X=0.85930000 Y=0.04680000 Z=0.76940000
      -6: X=0.14070000 Y=0.95320000 Z=0.26940000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.49230000 Y=0.29250000 Z=0.46370000
          MULT= 4          ISPLIT= 8
      -7: X=0.50770000 Y=0.70750000 Z=0.96370000
      -7: X=0.00770000 Y=0.79250000 Z=0.96370000
      -7: X=0.99230000 Y=0.20750000 Z=0.46370000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.20950000 Y=0.32760000 Z=0.43860000
          MULT= 4          ISPLIT= 8
      -8: X=0.79050000 Y=0.67240000 Z=0.93860000
      -8: X=0.29050000 Y=0.82760000 Z=0.93860000
      -8: X=0.70950000 Y=0.17240000 Z=0.43860000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.45560000 Y=0.28120000 Z=0.04170000
          MULT= 4          ISPLIT= 8
      -9: X=0.54440000 Y=0.71880000 Z=0.54170000
      -9: X=0.04440000 Y=0.78120000 Z=0.54170000
      -9: X=0.95560000 Y=0.21880000 Z=0.04170000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000