P   LATTICE,NONEQUIV.ATOMS   6   85 P4/n                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.535104 16.535104 11.772994 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
As         NPT=  781  R0=.000050000 RMT= 1.62        Z:  33.00000              
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=0.32780000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.67220000
As         NPT=  781  R0=.000050000 RMT= 1.62        Z:  33.00000              
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=0.60330000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.39670000
F          NPT=  781  R0=.000100000 RMT= 1.54        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  -4: X=0.25000000 Y=0.25000000 Z=0.05840000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.94160000
F          NPT=  781  R0=.000100000 RMT= 1.54        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=0.17160000 Y=0.06190000 Z=0.32520000
          MULT= 8          ISPLIT= 8
      -5: X=0.82840000 Y=0.93810000 Z=0.67480000
      -5: X=0.43810000 Y=0.17160000 Z=0.32520000
      -5: X=0.56190000 Y=0.82840000 Z=0.67480000
      -5: X=0.32840000 Y=0.43810000 Z=0.32520000
      -5: X=0.67160000 Y=0.56190000 Z=0.67480000
      -5: X=0.06190000 Y=0.32840000 Z=0.32520000
      -5: X=0.93810000 Y=0.67160000 Z=0.67480000
F          NPT=  781  R0=.000100000 RMT= 1.54        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=0.06550000 Y=0.71670000 Z=0.18500000
          MULT= 8          ISPLIT= 8
      -6: X=0.93450000 Y=0.28330000 Z=0.81500000
      -6: X=0.78330000 Y=0.06550000 Z=0.18500000
      -6: X=0.21670000 Y=0.93450000 Z=0.81500000
      -6: X=0.43450000 Y=0.78330000 Z=0.18500000
      -6: X=0.56550000 Y=0.21670000 Z=0.81500000
      -6: X=0.71670000 Y=0.43450000 Z=0.18500000
      -6: X=0.28330000 Y=0.56550000 Z=0.81500000
Cl         NPT=  781  R0=.000100000 RMT= 1.79        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000