P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.320971  7.593487  9.090717 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.68512000 Z=0.66172000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.31488000 Z=0.16172000
C          NPT=  781  R0=.000100000 RMT= 1.38        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.37006000 Z=0.84861000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.62994000 Z=0.34861000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.28894000 Y=0.10490000 Z=0.22247000
          MULT= 4          ISPLIT= 8
      -3: X=0.21106000 Y=0.89510000 Z=0.72247000
      -3: X=0.71106000 Y=0.10490000 Z=0.22247000
      -3: X=0.78894000 Y=0.89510000 Z=0.72247000
O          NPT=  781  R0=.000100000 RMT= 1.53        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  -4: X=0.00000000 Y=0.57504000 Z=0.35257000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.42496000 Z=0.85257000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.92681000 Z=0.04368000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.07319000 Z=0.54368000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.24533000 Y=0.59738000 Z=0.07287000
          MULT= 4          ISPLIT= 8
      -6: X=0.25467000 Y=0.40262000 Z=0.57287000
      -6: X=0.75467000 Y=0.59738000 Z=0.07287000
      -6: X=0.74533000 Y=0.40262000 Z=0.57287000
Li         NPT=  781  R0=.000100000 RMT= 1.68        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  -7: X=0.00000000 Y=0.08312000 Z=0.44546000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.91688000 Z=0.94546000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000