P   LATTICE,NONEQUIV.ATOMS   8   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.215405 17.536659 19.993302 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21870000 Y=0.51930000 Z=0.20310000
          MULT= 4          ISPLIT= 8
      -1: X=0.78130000 Y=0.48070000 Z=0.70310000
      -1: X=0.28130000 Y=0.01930000 Z=0.70310000
      -1: X=0.71870000 Y=0.98070000 Z=0.20310000
As         NPT=  781  R0=.000050000 RMT= 2.13        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19100000 Y=0.74940000 Z=0.22280000
          MULT= 4          ISPLIT= 8
      -2: X=0.80900000 Y=0.25060000 Z=0.72280000
      -2: X=0.30900000 Y=0.24940000 Z=0.72280000
      -2: X=0.69100000 Y=0.75060000 Z=0.22280000
S          NPT=  781  R0=.000100000 RMT= 1.83        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  -3: X=0.34240000 Y=0.46390000 Z=0.04150000
          MULT= 4          ISPLIT= 8
      -3: X=0.65760000 Y=0.53610000 Z=0.54150000
      -3: X=0.15760000 Y=0.96390000 Z=0.54150000
      -3: X=0.84240000 Y=0.03610000 Z=0.04150000
S          NPT=  781  R0=.000100000 RMT= 1.83        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  -4: X=0.00690000 Y=0.41240000 Z=0.22120000
          MULT= 4          ISPLIT= 8
      -4: X=0.99310000 Y=0.58760000 Z=0.72120000
      -4: X=0.49310000 Y=0.91240000 Z=0.72120000
      -4: X=0.50690000 Y=0.08760000 Z=0.22120000
S          NPT=  781  R0=.000100000 RMT= 1.83        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=0.33550000 Y=0.45400000 Z=0.37610000
          MULT= 4          ISPLIT= 8
      -5: X=0.66450000 Y=0.54600000 Z=0.87610000
      -5: X=0.16450000 Y=0.95400000 Z=0.87610000
      -5: X=0.83550000 Y=0.04600000 Z=0.37610000
S          NPT=  781  R0=.000100000 RMT= 1.83        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=0.05820000 Y=0.29480000 Z=0.50150000
          MULT= 4          ISPLIT= 8
      -6: X=0.94180000 Y=0.70520000 Z=0.00150000
      -6: X=0.44180000 Y=0.79480000 Z=0.00150000
      -6: X=0.55820000 Y=0.20520000 Z=0.50150000
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  -7: X=0.05120000 Y=0.30330000 Z=0.91460000
          MULT= 4          ISPLIT= 8
      -7: X=0.94880000 Y=0.69670000 Z=0.41460000
      -7: X=0.44880000 Y=0.80330000 Z=0.41460000
      -7: X=0.55120000 Y=0.19670000 Z=0.91460000
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  -8: X=0.14220000 Y=0.08240000 Z=0.22460000
          MULT= 4          ISPLIT= 8
      -8: X=0.85780000 Y=0.91760000 Z=0.72460000
      -8: X=0.35780000 Y=0.58240000 Z=0.72460000
      -8: X=0.64220000 Y=0.41760000 Z=0.22460000
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