P   LATTICE,NONEQUIV.ATOMS   4   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.744459 14.461885 11.500684 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13187000 Y=0.31780000 Z=0.59285000
          MULT= 4          ISPLIT= 8
      -1: X=0.86813000 Y=0.68220000 Z=0.09285000
      -1: X=0.36813000 Y=0.81780000 Z=0.09285000
      -1: X=0.63187000 Y=0.18220000 Z=0.59285000
Zn         NPT=  781  R0=.000050000 RMT= 1.94        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  -2: X=0.51846000 Y=0.53222000 Z=0.40552000
          MULT= 4          ISPLIT= 8
      -2: X=0.48154000 Y=0.46778000 Z=0.90552000
      -2: X=0.98154000 Y=0.03222000 Z=0.90552000
      -2: X=0.01846000 Y=0.96778000 Z=0.40552000
Zn         NPT=  781  R0=.000050000 RMT= 1.94        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  -3: X=0.08096000 Y=0.37928000 Z=0.12478000
          MULT= 4          ISPLIT= 8
      -3: X=0.91904000 Y=0.62072000 Z=0.62478000
      -3: X=0.41904000 Y=0.87928000 Z=0.62478000
      -3: X=0.58096000 Y=0.12072000 Z=0.12478000
Br         NPT=  781  R0=.000050000 RMT= 2.45        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=0.43310000 Y=0.37350000 Z=0.62490000
          MULT= 4          ISPLIT= 8
      -4: X=0.56690000 Y=0.62650000 Z=0.12490000
      -4: X=0.06690000 Y=0.87350000 Z=0.12490000
      -4: X=0.93310000 Y=0.12650000 Z=0.62490000
N          NPT=  781  R0=.000100000 RMT= 1.59        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000