P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.468844  8.673843 14.437508 90.000000 90.000000101.130000                   
ATOM  -1: X=0.39950000 Y=0.61980000 Z=0.20070000
          MULT= 4          ISPLIT= 8
      -1: X=0.60050000 Y=0.38020000 Z=0.79930000
      -1: X=0.10050000 Y=0.88020000 Z=0.70070000
      -1: X=0.89950000 Y=0.11980000 Z=0.29930000
K          NPT=  781  R0=.000050000 RMT= 1.93        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  -2: X=0.19730000 Y=0.02730000 Z=0.04340000
          MULT= 4          ISPLIT= 8
      -2: X=0.80270000 Y=0.97270000 Z=0.95660000
      -2: X=0.30270000 Y=0.47270000 Z=0.54340000
      -2: X=0.69730000 Y=0.52730000 Z=0.45660000
Se         NPT=  781  R0=.000050000 RMT= 1.89        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=0.11570000 Y=0.15800000 Z=0.22000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88430000 Y=0.84200000 Z=0.78000000
      -3: X=0.38430000 Y=0.34200000 Z=0.72000000
      -3: X=0.61570000 Y=0.65800000 Z=0.28000000
C          NPT=  781  R0=.000100000 RMT= 1.27        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.06450000 Y=0.23360000 Z=0.37260000
          MULT= 4          ISPLIT= 8
      -4: X=0.93550000 Y=0.76640000 Z=0.62740000
      -4: X=0.43550000 Y=0.26640000 Z=0.87260000
      -4: X=0.56450000 Y=0.73360000 Z=0.12740000
N          NPT=  781  R0=.000100000 RMT= 1.34        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000