B   LATTICE,NONEQUIV.ATOMS   6  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.918091 19.918091 18.572228 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27439000 Y=0.05347000 Z=0.15954000
          MULT= 8          ISPLIT= 8
      -1: X=0.05347000 Y=0.72561000 Z=0.84046000
      -1: X=0.27439000 Y=0.44653000 Z=0.09046000
      -1: X=0.72561000 Y=0.94653000 Z=0.15954000
      -1: X=0.94653000 Y=0.22561000 Z=0.40954000
      -1: X=0.94653000 Y=0.27439000 Z=0.84046000
      -1: X=0.72561000 Y=0.55347000 Z=0.09046000
      -1: X=0.05347000 Y=0.77439000 Z=0.40954000
Se         NPT=  781  R0=.000050000 RMT= 1.66        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.78795000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.21205000 Z=0.87500000
      -2: X=0.21205000 Y=0.75000000 Z=0.12500000
      -2: X=0.75000000 Y=0.78795000 Z=0.87500000
Ga         NPT=  781  R0=.000050000 RMT= 1.93        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.20590000 Y=0.07340000 Z=0.00410000
          MULT= 8          ISPLIT= 8
      -3: X=0.07340000 Y=0.79410000 Z=0.99590000
      -3: X=0.20590000 Y=0.42660000 Z=0.24590000
      -3: X=0.79410000 Y=0.92660000 Z=0.00410000
      -3: X=0.92660000 Y=0.29410000 Z=0.25410000
      -3: X=0.92660000 Y=0.20590000 Z=0.99590000
      -3: X=0.79410000 Y=0.57340000 Z=0.24590000
      -3: X=0.07340000 Y=0.70590000 Z=0.25410000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.18350000 Y=0.15830000 Z=0.24890000
          MULT= 8          ISPLIT= 8
      -4: X=0.15830000 Y=0.81650000 Z=0.75110000
      -4: X=0.18350000 Y=0.34170000 Z=0.00110000
      -4: X=0.81650000 Y=0.84170000 Z=0.24890000
      -4: X=0.84170000 Y=0.31650000 Z=0.49890000
      -4: X=0.84170000 Y=0.18350000 Z=0.75110000
      -4: X=0.81650000 Y=0.65830000 Z=0.00110000
      -4: X=0.15830000 Y=0.68350000 Z=0.49890000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.08240000 Y=0.29490000 Z=0.45990000
          MULT= 8          ISPLIT= 8
      -5: X=0.29490000 Y=0.91760000 Z=0.54010000
      -5: X=0.08240000 Y=0.20510000 Z=0.79010000
      -5: X=0.91760000 Y=0.70510000 Z=0.45990000
      -5: X=0.70510000 Y=0.41760000 Z=0.70990000
      -5: X=0.70510000 Y=0.08240000 Z=0.54010000
      -5: X=0.91760000 Y=0.79490000 Z=0.79010000
      -5: X=0.29490000 Y=0.58240000 Z=0.70990000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.06400000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -6: X=0.25000000 Y=0.93600000 Z=0.87500000
      -6: X=0.93600000 Y=0.75000000 Z=0.12500000
      -6: X=0.75000000 Y=0.06400000 Z=0.87500000
Li         NPT=  781  R0=.000100000 RMT= 1.67        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000