B   LATTICE,NONEQUIV.ATOMS   5   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.429159 22.429159 13.560675 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29220000 Y=0.13690000 Z=0.17110000
          MULT= 8          ISPLIT= 8
      -1: X=0.70780000 Y=0.86310000 Z=0.82890000
      -1: X=0.11310000 Y=0.04220000 Z=0.92110000
      -1: X=0.38690000 Y=0.45780000 Z=0.57890000
      -1: X=0.70780000 Y=0.36310000 Z=0.17110000
      -1: X=0.29220000 Y=0.63690000 Z=0.82890000
      -1: X=0.38690000 Y=0.95780000 Z=0.42110000
      -1: X=0.11310000 Y=0.54220000 Z=0.07890000
Si         NPT=  781  R0=.000100000 RMT= 1.34        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08080000 Y=0.11650000 Z=0.46150000
          MULT= 8          ISPLIT= 8
      -2: X=0.91920000 Y=0.88350000 Z=0.53850000
      -2: X=0.13350000 Y=0.83080000 Z=0.21150000
      -2: X=0.36650000 Y=0.66920000 Z=0.28850000
      -2: X=0.91920000 Y=0.38350000 Z=0.46150000
      -2: X=0.08080000 Y=0.61650000 Z=0.53850000
      -2: X=0.36650000 Y=0.16920000 Z=0.71150000
      -2: X=0.13350000 Y=0.33080000 Z=0.78850000
Na         NPT=  781  R0=.000100000 RMT= 2.05        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.17400000 Y=0.07400000 Z=0.11420000
          MULT= 8          ISPLIT= 8
      -3: X=0.82600000 Y=0.92600000 Z=0.88580000
      -3: X=0.17600000 Y=0.92400000 Z=0.86420000
      -3: X=0.32400000 Y=0.57600000 Z=0.63580000
      -3: X=0.82600000 Y=0.42600000 Z=0.11420000
      -3: X=0.17400000 Y=0.57400000 Z=0.88580000
      -3: X=0.32400000 Y=0.07600000 Z=0.36420000
      -3: X=0.17600000 Y=0.42400000 Z=0.13580000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.39700000 Y=0.12060000 Z=0.02120000
          MULT= 8          ISPLIT= 8
      -4: X=0.60300000 Y=0.87940000 Z=0.97880000
      -4: X=0.12940000 Y=0.14700000 Z=0.77120000
      -4: X=0.37060000 Y=0.35300000 Z=0.72880000
      -4: X=0.60300000 Y=0.37940000 Z=0.02120000
      -4: X=0.39700000 Y=0.62060000 Z=0.97880000
      -4: X=0.37060000 Y=0.85300000 Z=0.27120000
      -4: X=0.12940000 Y=0.64700000 Z=0.22880000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.25000000 Y=0.75000000 Z=0.75000000
      -5: X=0.00000000 Y=0.50000000 Z=0.00000000
      -5: X=0.25000000 Y=0.25000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000