R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.309893 17.309893 43.286066 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.84        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=0.14398000 Y=0.14398000 Z=0.14398000
          MULT= 4          ISPLIT= 4
      -2: X=0.85602000 Y=0.85602000 Z=0.85602000
      -2: X=0.64398000 Y=0.64398000 Z=0.64398000
      -2: X=0.35602000 Y=0.35602000 Z=0.35602000
Zr         NPT=  781  R0=.000010000 RMT= 1.94        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.54200000 Y=0.95800000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.45800000 Y=0.04200000 Z=0.75000000
      -3: X=0.95800000 Y=0.25000000 Z=0.54200000
      -3: X=0.04200000 Y=0.75000000 Z=0.45800000
      -3: X=0.25000000 Y=0.54200000 Z=0.95800000
      -3: X=0.75000000 Y=0.45800000 Z=0.04200000
As         NPT=  781  R0=.000050000 RMT= 1.69        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.19020000 Y=0.37090000 Z=0.00830000
          MULT=12          ISPLIT= 8
      -4: X=0.80980000 Y=0.62910000 Z=0.99170000
      -4: X=0.37090000 Y=0.00830000 Z=0.19020000
      -4: X=0.62910000 Y=0.99170000 Z=0.80980000
      -4: X=0.69020000 Y=0.50830000 Z=0.87090000
      -4: X=0.30980000 Y=0.49170000 Z=0.12910000
      -4: X=0.00830000 Y=0.19020000 Z=0.37090000
      -4: X=0.99170000 Y=0.80980000 Z=0.62910000
      -4: X=0.50830000 Y=0.87090000 Z=0.69020000
      -4: X=0.49170000 Y=0.12910000 Z=0.30980000
      -4: X=0.87090000 Y=0.69020000 Z=0.50830000
      -4: X=0.12910000 Y=0.30980000 Z=0.49170000
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  -5: X=0.23880000 Y=0.04370000 Z=0.93590000
          MULT=12          ISPLIT= 8
      -5: X=0.76120000 Y=0.95630000 Z=0.06410000
      -5: X=0.04370000 Y=0.93590000 Z=0.23880000
      -5: X=0.95630000 Y=0.06410000 Z=0.76120000
      -5: X=0.73880000 Y=0.43590000 Z=0.54370000
      -5: X=0.26120000 Y=0.56410000 Z=0.45630000
      -5: X=0.93590000 Y=0.23880000 Z=0.04370000
      -5: X=0.06410000 Y=0.76120000 Z=0.95630000
      -5: X=0.43590000 Y=0.54370000 Z=0.73880000
      -5: X=0.56410000 Y=0.45630000 Z=0.26120000
      -5: X=0.54370000 Y=0.73880000 Z=0.43590000
      -5: X=0.45630000 Y=0.26120000 Z=0.56410000
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