P   LATTICE,NONEQUIV.ATOMS   6   85 P4/n                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.191174 16.191174 12.341801 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.34610000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.65390000
Sb         NPT=  781  R0=.000010000 RMT= 1.89        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07190000 Y=0.70590000 Z=0.17120000
          MULT= 8          ISPLIT= 8
      -2: X=0.92810000 Y=0.29410000 Z=0.82880000
      -2: X=0.79410000 Y=0.07190000 Z=0.17120000
      -2: X=0.20590000 Y=0.92810000 Z=0.82880000
      -2: X=0.42810000 Y=0.79410000 Z=0.17120000
      -2: X=0.57190000 Y=0.20590000 Z=0.82880000
      -2: X=0.70590000 Y=0.42810000 Z=0.17120000
      -2: X=0.29410000 Y=0.57190000 Z=0.82880000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        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  -3: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.25000000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 1.72        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  -4: X=0.55230000 Y=0.16980000 Z=0.34610000
          MULT= 8          ISPLIT= 8
      -4: X=0.44770000 Y=0.83020000 Z=0.65390000
      -4: X=0.33020000 Y=0.55230000 Z=0.34610000
      -4: X=0.66980000 Y=0.44770000 Z=0.65390000
      -4: X=0.94770000 Y=0.33020000 Z=0.34610000
      -4: X=0.05230000 Y=0.66980000 Z=0.65390000
      -4: X=0.16980000 Y=0.94770000 Z=0.34610000
      -4: X=0.83020000 Y=0.05230000 Z=0.65390000
F          NPT=  781  R0=.000100000 RMT= 1.71        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=0.25000000 Y=0.25000000 Z=0.05200000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.94800000
F          NPT=  781  R0=.000100000 RMT= 1.71        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=0.25000000 Y=0.25000000 Z=0.63900000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.75000000 Z=0.36100000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000