R   LATTICE,NONEQUIV.ATOMS   8  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.346483 11.346483 48.388328 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24850000 Y=0.24850000 Z=0.24850000
          MULT= 2          ISPLIT= 4
      -1: X=0.75150000 Y=0.75150000 Z=0.75150000
Nb         NPT=  781  R0=.000010000 RMT= 1.99        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46460000 Y=0.77259000 Z=0.08960000
          MULT= 6          ISPLIT= 8
      -2: X=0.53540000 Y=0.22741000 Z=0.91040000
      -2: X=0.77259000 Y=0.08960000 Z=0.46460000
      -2: X=0.22741000 Y=0.91040000 Z=0.53540000
      -2: X=0.08960000 Y=0.46460000 Z=0.77259000
      -2: X=0.91040000 Y=0.53540000 Z=0.22741000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32650000 Y=0.32650000 Z=0.32650000
          MULT= 2          ISPLIT= 4
      -3: X=0.67350000 Y=0.67350000 Z=0.67350000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 2.09        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=0.57700000 Y=0.83401000 Z=0.16700000
          MULT= 6          ISPLIT= 8
      -5: X=0.42300000 Y=0.16599000 Z=0.83300000
      -5: X=0.83401000 Y=0.16700000 Z=0.57700000
      -5: X=0.16599000 Y=0.83300000 Z=0.42300000
      -5: X=0.16700000 Y=0.57700000 Z=0.83401000
      -5: X=0.83300000 Y=0.42300000 Z=0.16599000
Li         NPT=  781  R0=.000100000 RMT= 1.71        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  -6: X=0.05800000 Y=0.33100000 Z=0.69500000
          MULT= 6          ISPLIT= 8
      -6: X=0.94200000 Y=0.66900000 Z=0.30500000
      -6: X=0.33100000 Y=0.69500000 Z=0.05800000
      -6: X=0.66900000 Y=0.30500000 Z=0.94200000
      -6: X=0.69500000 Y=0.05800000 Z=0.33100000
      -6: X=0.30500000 Y=0.94200000 Z=0.66900000
Li         NPT=  781  R0=.000100000 RMT= 1.71        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=0.07900000 Y=0.07900000 Z=0.07900000
          MULT= 2          ISPLIT= 4
      -7: X=0.92100000 Y=0.92100000 Z=0.92100000
Li         NPT=  781  R0=.000100000 RMT= 1.71        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  -8: X=0.41200000 Y=0.41200000 Z=0.41200000
          MULT= 2          ISPLIT= 4
      -8: X=0.58800000 Y=0.58800000 Z=0.58800000
Li         NPT=  781  R0=.000100000 RMT= 1.71        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000