P   LATTICE,NONEQUIV.ATOMS   6    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.180230 13.185564 18.027987108.670000 90.690000116.290000                   
ATOM  -1: X=0.39736000 Y=0.28633000 Z=0.28359000
          MULT= 2          ISPLIT= 8
      -1: X=0.60264000 Y=0.71367000 Z=0.71641000
W          NPT=  781  R0=.000005000 RMT= 2.32        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24889000 Y=0.30689000 Z=0.54440000
          MULT= 2          ISPLIT= 8
      -2: X=0.75111000 Y=0.69311000 Z=0.45560000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.05690000 Y=0.91901000 Z=0.16100000
          MULT= 2          ISPLIT= 8
      -3: X=0.94310000 Y=0.08099000 Z=0.83900000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.57050000 Y=0.31249000 Z=0.06386000
          MULT= 2          ISPLIT= 8
      -4: X=0.42950000 Y=0.68751000 Z=0.93614000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.62690000 Y=0.12527000 Z=0.35493000
          MULT= 2          ISPLIT= 8
      -5: X=0.37310000 Y=0.87473000 Z=0.64507000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19580000 Y=0.49950000 Z=0.25744000
          MULT= 2          ISPLIT= 8
      -6: X=0.80420000 Y=0.50050000 Z=0.74256000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000