B   LATTICE,NONEQUIV.ATOMS   8  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.882263 12.882263 36.362110 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
As         NPT=  781  R0=.000050000 RMT= 1.67        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.65533000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.34467000 Z=0.87500000
      -2: X=0.34467000 Y=0.75000000 Z=0.12500000
      -2: X=0.75000000 Y=0.65533000 Z=0.87500000
As         NPT=  781  R0=.000050000 RMT= 1.67        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.22946000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.77054000
      -3: X=0.00000000 Y=0.50000000 Z=0.02054000
      -3: X=0.00000000 Y=0.50000000 Z=0.47946000
Mg         NPT=  781  R0=.000100000 RMT= 1.89        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24120000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -4: X=0.25000000 Y=0.75880000 Z=0.87500000
      -4: X=0.75880000 Y=0.75000000 Z=0.12500000
      -4: X=0.75000000 Y=0.24120000 Z=0.87500000
Mg         NPT=  781  R0=.000100000 RMT= 1.89        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.50000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.18        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  -6: X=0.49360000 Y=0.20410000 Z=0.05961000
          MULT= 8          ISPLIT= 8
      -6: X=0.20410000 Y=0.50640000 Z=0.94039000
      -6: X=0.49360000 Y=0.29590000 Z=0.19039000
      -6: X=0.50640000 Y=0.79590000 Z=0.05961000
      -6: X=0.79590000 Y=0.00640000 Z=0.30961000
      -6: X=0.79590000 Y=0.49360000 Z=0.94039000
      -6: X=0.50640000 Y=0.70410000 Z=0.19039000
      -6: X=0.20410000 Y=0.99360000 Z=0.30961000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -7: X=0.04600000 Y=0.27730000 Z=0.40042000
          MULT= 8          ISPLIT= 8
      -7: X=0.27730000 Y=0.95400000 Z=0.59958000
      -7: X=0.04600000 Y=0.22270000 Z=0.84958000
      -7: X=0.95400000 Y=0.72270000 Z=0.40042000
      -7: X=0.72270000 Y=0.45400000 Z=0.65042000
      -7: X=0.72270000 Y=0.04600000 Z=0.59958000
      -7: X=0.95400000 Y=0.77730000 Z=0.84958000
      -7: X=0.27730000 Y=0.54600000 Z=0.65042000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -8: X=0.05810000 Y=0.20680000 Z=0.04410000
          MULT= 8          ISPLIT= 8
      -8: X=0.20680000 Y=0.94190000 Z=0.95590000
      -8: X=0.05810000 Y=0.29320000 Z=0.20590000
      -8: X=0.94190000 Y=0.79320000 Z=0.04410000
      -8: X=0.79320000 Y=0.44190000 Z=0.29410000
      -8: X=0.79320000 Y=0.05810000 Z=0.95590000
      -8: X=0.94190000 Y=0.70680000 Z=0.20590000
      -8: X=0.20680000 Y=0.55810000 Z=0.29410000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000