P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.374855 17.257168  9.854922 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22300000 Y=0.08000000 Z=0.29300000
          MULT= 4          ISPLIT= 8
      -1: X=0.77700000 Y=0.92000000 Z=0.79300000
      -1: X=0.27700000 Y=0.58000000 Z=0.79300000
      -1: X=0.72300000 Y=0.42000000 Z=0.29300000
S          NPT=  781  R0=.000100000 RMT= 1.34        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  -2: X=0.00440000 Y=0.29690000 Z=0.76430000
          MULT= 4          ISPLIT= 8
      -2: X=0.99560000 Y=0.70310000 Z=0.26430000
      -2: X=0.49560000 Y=0.79690000 Z=0.26430000
      -2: X=0.50440000 Y=0.20310000 Z=0.76430000
K          NPT=  781  R0=.000050000 RMT= 2.49        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=0.32100000 Y=0.38700000 Z=0.29300000
          MULT= 4          ISPLIT= 8
      -3: X=0.67900000 Y=0.61300000 Z=0.79300000
      -3: X=0.17900000 Y=0.88700000 Z=0.79300000
      -3: X=0.82100000 Y=0.11300000 Z=0.29300000
Li         NPT=  781  R0=.000100000 RMT= 1.67        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24500000 Y=0.55200000 Z=0.06500000
          MULT= 4          ISPLIT= 8
      -4: X=0.75500000 Y=0.44800000 Z=0.56500000
      -4: X=0.25500000 Y=0.05200000 Z=0.56500000
      -4: X=0.74500000 Y=0.94800000 Z=0.06500000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27300000 Y=0.44200000 Z=0.65100000
          MULT= 4          ISPLIT= 8
      -5: X=0.72700000 Y=0.55800000 Z=0.15100000
      -5: X=0.22700000 Y=0.94200000 Z=0.15100000
      -5: X=0.77300000 Y=0.05800000 Z=0.65100000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.07000000 Y=0.14700000 Z=0.26600000
          MULT= 4          ISPLIT= 8
      -6: X=0.93000000 Y=0.85300000 Z=0.76600000
      -6: X=0.43000000 Y=0.64700000 Z=0.76600000
      -6: X=0.57000000 Y=0.35300000 Z=0.26600000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.34000000 Y=0.17900000 Z=0.19000000
          MULT= 4          ISPLIT= 8
      -7: X=0.66000000 Y=0.82100000 Z=0.69000000
      -7: X=0.16000000 Y=0.67900000 Z=0.69000000
      -7: X=0.84000000 Y=0.32100000 Z=0.19000000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000