P   LATTICE,NONEQUIV.ATOMS   6   85 P4/n                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.423275 17.423275 14.059562 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.25000000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 1.70        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.38150000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.61850000
P          NPT=  781  R0=.000100000 RMT= 1.70        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.67220000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.32780000
Cl         NPT=  781  R0=.000100000 RMT= 1.88        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.09530000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.90470000
Cl         NPT=  781  R0=.000100000 RMT= 1.88        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08750000 Y=0.70790000 Z=0.14880000
          MULT= 8          ISPLIT= 8
      -5: X=0.91250000 Y=0.29210000 Z=0.85120000
      -5: X=0.79210000 Y=0.08750000 Z=0.14880000
      -5: X=0.20790000 Y=0.91250000 Z=0.85120000
      -5: X=0.41250000 Y=0.79210000 Z=0.14880000
      -5: X=0.58750000 Y=0.20790000 Z=0.85120000
      -5: X=0.70790000 Y=0.41250000 Z=0.14880000
      -5: X=0.29210000 Y=0.58750000 Z=0.85120000
Cl         NPT=  781  R0=.000100000 RMT= 1.88        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.16270000 Y=0.03860000 Z=0.38460000
          MULT= 8          ISPLIT= 8
      -6: X=0.83730000 Y=0.96140000 Z=0.61540000
      -6: X=0.46140000 Y=0.16270000 Z=0.38460000
      -6: X=0.53860000 Y=0.83730000 Z=0.61540000
      -6: X=0.33730000 Y=0.46140000 Z=0.38460000
      -6: X=0.66270000 Y=0.53860000 Z=0.61540000
      -6: X=0.03860000 Y=0.33730000 Z=0.38460000
      -6: X=0.96140000 Y=0.66270000 Z=0.61540000
Cl         NPT=  781  R0=.000100000 RMT= 1.88        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000