P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.723072 12.451783 12.375816 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07800000 Y=0.04520000 Z=0.38810000
          MULT= 4          ISPLIT= 8
      -1: X=0.92200000 Y=0.95480000 Z=0.88810000
      -1: X=0.42200000 Y=0.54520000 Z=0.88810000
      -1: X=0.57800000 Y=0.45480000 Z=0.38810000
Li         NPT=  781  R0=.000100000 RMT= 2.25        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  -2: X=0.41428000 Y=0.08698000 Z=0.25729000
          MULT= 4          ISPLIT= 8
      -2: X=0.58572000 Y=0.91302000 Z=0.75729000
      -2: X=0.08572000 Y=0.58698000 Z=0.75729000
      -2: X=0.91428000 Y=0.41302000 Z=0.25729000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09233000 Y=0.59825000 Z=0.24282000
          MULT= 4          ISPLIT= 8
      -3: X=0.90767000 Y=0.40175000 Z=0.74282000
      -3: X=0.40767000 Y=0.09825000 Z=0.74282000
      -3: X=0.59233000 Y=0.90175000 Z=0.24282000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19363000 Y=0.42261000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.80637000 Y=0.57739000 Z=0.50000000
      -4: X=0.30637000 Y=0.92261000 Z=0.50000000
      -4: X=0.69363000 Y=0.07739000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19116000 Y=0.44326000 Z=0.49964000
          MULT= 4          ISPLIT= 8
      -5: X=0.80884000 Y=0.55674000 Z=0.99964000
      -5: X=0.30884000 Y=0.94326000 Z=0.99964000
      -5: X=0.69116000 Y=0.05674000 Z=0.49964000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12858000 Y=0.10915000 Z=0.01523000
          MULT= 4          ISPLIT= 8
      -6: X=0.87142000 Y=0.89085000 Z=0.51523000
      -6: X=0.37142000 Y=0.60915000 Z=0.51523000
      -6: X=0.62858000 Y=0.39085000 Z=0.01523000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000