P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.362804 13.634374 14.188064 90.000000 90.000000109.040000                   
ATOM  -1: X=0.04380000 Y=0.20490000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.95620000 Y=0.79510000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.57510000 Y=0.28230000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.42490000 Y=0.71770000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.20640000 Y=0.78180000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.79360000 Y=0.21820000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.30        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.93360000 Y=0.60730000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.06640000 Y=0.39270000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.19        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=0.36440000 Y=0.57590000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.63560000 Y=0.42410000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.19        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=0.26670000 Y=0.00210000 Z=0.50170000
          MULT= 4          ISPLIT= 8
      -6: X=0.73330000 Y=0.99790000 Z=0.49830000
      -6: X=0.73330000 Y=0.99790000 Z=0.00170000
      -6: X=0.26670000 Y=0.00210000 Z=0.99830000
Br         NPT=  781  R0=.000050000 RMT= 2.19        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000