P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.982737 30.993965  7.689296 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25947000 Y=0.04231000 Z=0.25060000
          MULT= 4          ISPLIT= 8
      -1: X=0.74053000 Y=0.95769000 Z=0.75060000
      -1: X=0.24053000 Y=0.54231000 Z=0.75060000
      -1: X=0.75947000 Y=0.45769000 Z=0.25060000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08006000 Y=0.28508000 Z=0.74890000
          MULT= 4          ISPLIT= 8
      -2: X=0.91994000 Y=0.71492000 Z=0.24890000
      -2: X=0.41994000 Y=0.78508000 Z=0.24890000
      -2: X=0.58006000 Y=0.21492000 Z=0.74890000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37363000 Y=0.36689000 Z=0.25090000
          MULT= 4          ISPLIT= 8
      -3: X=0.62637000 Y=0.63311000 Z=0.75090000
      -3: X=0.12637000 Y=0.86689000 Z=0.75090000
      -3: X=0.87363000 Y=0.13311000 Z=0.25090000
Zn         NPT=  781  R0=.000050000 RMT= 2.41        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=0.31847000 Y=0.22607000 Z=0.25110000
          MULT= 4          ISPLIT= 8
      -4: X=0.68153000 Y=0.77393000 Z=0.75110000
      -4: X=0.18153000 Y=0.72607000 Z=0.75110000
      -4: X=0.81847000 Y=0.27393000 Z=0.25110000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00940000 Y=0.09853000 Z=0.75100000
          MULT= 4          ISPLIT= 8
      -5: X=0.99060000 Y=0.90147000 Z=0.25100000
      -5: X=0.49060000 Y=0.59853000 Z=0.25100000
      -5: X=0.50940000 Y=0.40147000 Z=0.75100000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12528000 Y=0.42813000 Z=0.24720000
          MULT= 4          ISPLIT= 8
      -6: X=0.87472000 Y=0.57187000 Z=0.74720000
      -6: X=0.37472000 Y=0.92813000 Z=0.74720000
      -6: X=0.62528000 Y=0.07187000 Z=0.24720000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000