P   LATTICE,NONEQUIV.ATOMS   7    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.030212 13.649492 14.042555 90.000000 90.000000108.760000                   
ATOM  -1: X=0.95131000 Y=0.28966000 Z=0.27135000
          MULT= 2          ISPLIT= 8
      -1: X=0.04869000 Y=0.71034000 Z=0.77135000
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=0.42840000 Y=0.22577000 Z=0.27302000
          MULT= 2          ISPLIT= 8
      -2: X=0.57160000 Y=0.77423000 Z=0.77302000
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=0.20433000 Y=0.27990000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -3: X=0.79567000 Y=0.72010000 Z=0.25000000
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=0.07053000 Y=0.89957000 Z=0.22893000
          MULT= 2          ISPLIT= 8
      -4: X=0.92947000 Y=0.10043000 Z=0.72893000
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=0.36919000 Y=0.07837000 Z=0.73472000
          MULT= 2          ISPLIT= 8
      -5: X=0.63081000 Y=0.92163000 Z=0.23472000
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=0.25949000 Y=0.48637000 Z=0.01197000
          MULT= 2          ISPLIT= 8
      -6: X=0.74051000 Y=0.51363000 Z=0.51197000
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  -7: X=0.26861000 Y=0.51489000 Z=0.50690000
          MULT= 2          ISPLIT= 8
      -7: X=0.73139000 Y=0.48511000 Z=0.00690000
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