P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.721397 19.239302 12.445736 90.000000 90.000000105.200000                   
ATOM  -1: X=0.12370000 Y=0.50810000 Z=0.25390000
          MULT= 4          ISPLIT= 8
      -1: X=0.87630000 Y=0.49190000 Z=0.74610000
      -1: X=0.37630000 Y=0.99190000 Z=0.75390000
      -1: X=0.62370000 Y=0.00810000 Z=0.24610000
K          NPT=  781  R0=.000050000 RMT= 1.52        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=0.04860000 Y=0.15980000 Z=0.76000000
          MULT= 4          ISPLIT= 8
      -2: X=0.95140000 Y=0.84020000 Z=0.24000000
      -2: X=0.45140000 Y=0.34020000 Z=0.26000000
      -2: X=0.54860000 Y=0.65980000 Z=0.74000000
K          NPT=  781  R0=.000050000 RMT= 1.52        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=0.33270000 Y=0.21270000 Z=0.28390000
          MULT= 4          ISPLIT= 8
      -3: X=0.66730000 Y=0.78730000 Z=0.71610000
      -3: X=0.16730000 Y=0.28730000 Z=0.78390000
      -3: X=0.83270000 Y=0.71270000 Z=0.21610000
Te         NPT=  781  R0=.000010000 RMT= 1.77        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36590000 Y=0.46520000 Z=0.25360000
          MULT= 4          ISPLIT= 8
      -4: X=0.63410000 Y=0.53480000 Z=0.74640000
      -4: X=0.13410000 Y=0.03480000 Z=0.75360000
      -4: X=0.86590000 Y=0.96520000 Z=0.24640000
Se         NPT=  781  R0=.000050000 RMT= 1.88        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  -5: X=0.01380000 Y=0.17890000 Z=0.25810000
          MULT= 4          ISPLIT= 8
      -5: X=0.98620000 Y=0.82110000 Z=0.74190000
      -5: X=0.48620000 Y=0.32110000 Z=0.75810000
      -5: X=0.51380000 Y=0.67890000 Z=0.24190000
Se         NPT=  781  R0=.000050000 RMT= 1.88        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  -6: X=0.29800000 Y=0.16100000 Z=0.64900000
          MULT= 4          ISPLIT= 8
      -6: X=0.70200000 Y=0.83900000 Z=0.35100000
      -6: X=0.20200000 Y=0.33900000 Z=0.14900000
      -6: X=0.79800000 Y=0.66100000 Z=0.85100000
Se         NPT=  781  R0=.000050000 RMT= 1.88        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000