P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.667169 13.689176 30.647578 90.000000 90.000000112.600000                   
ATOM  -1: X=0.17900000 Y=0.30400000 Z=0.55430000
          MULT= 4          ISPLIT= 8
      -1: X=0.82100000 Y=0.69600000 Z=0.44570000
      -1: X=0.32100000 Y=0.19600000 Z=0.05430000
      -1: X=0.67900000 Y=0.80400000 Z=0.94570000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25090000 Y=0.52050000 Z=0.31690000
          MULT= 4          ISPLIT= 8
      -2: X=0.74910000 Y=0.47950000 Z=0.68310000
      -2: X=0.24910000 Y=0.97950000 Z=0.81690000
      -2: X=0.75090000 Y=0.02050000 Z=0.18310000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.03690000 Y=0.09580000 Z=0.14410000
          MULT= 4          ISPLIT= 8
      -3: X=0.96310000 Y=0.90420000 Z=0.85590000
      -3: X=0.46310000 Y=0.40420000 Z=0.64410000
      -3: X=0.53690000 Y=0.59580000 Z=0.35590000
Se         NPT=  781  R0=.000050000 RMT= 1.65        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12990000 Y=0.45700000 Z=0.16620000
          MULT= 4          ISPLIT= 8
      -4: X=0.87010000 Y=0.54300000 Z=0.83380000
      -4: X=0.37010000 Y=0.04300000 Z=0.66620000
      -4: X=0.62990000 Y=0.95700000 Z=0.33380000
Sn         NPT=  781  R0=.000010000 RMT= 2.21        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  -5: X=0.67640000 Y=0.26450000 Z=0.52650000
          MULT= 4          ISPLIT= 8
      -5: X=0.32360000 Y=0.73550000 Z=0.47350000
      -5: X=0.82360000 Y=0.23550000 Z=0.02650000
      -5: X=0.17640000 Y=0.76450000 Z=0.97350000
Na         NPT=  781  R0=.000100000 RMT= 1.90        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  -6: X=0.01120000 Y=0.04720000 Z=0.33410000
          MULT= 4          ISPLIT= 8
      -6: X=0.98880000 Y=0.95280000 Z=0.66590000
      -6: X=0.48880000 Y=0.45280000 Z=0.83410000
      -6: X=0.51120000 Y=0.54720000 Z=0.16590000
Na         NPT=  781  R0=.000100000 RMT= 1.90        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000