B   LATTICE,NONEQUIV.ATOMS   6  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.930418 20.930418 20.930418 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14310000 Y=0.14310000 Z=0.14310000
          MULT= 4          ISPLIT= 4
      -1: X=0.14310000 Y=0.85690000 Z=0.85690000
      -1: X=0.85690000 Y=0.85690000 Z=0.14310000
      -1: X=0.85690000 Y=0.14310000 Z=0.85690000
In         NPT=  781  R0=.000010000 RMT= 2.07        Z:  49.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
In         NPT=  781  R0=.000010000 RMT= 2.07        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13300000 Y=0.13300000 Z=0.41650000
          MULT=12          ISPLIT= 8
      -3: X=0.13300000 Y=0.86700000 Z=0.58350000
      -3: X=0.41650000 Y=0.13300000 Z=0.13300000
      -3: X=0.86700000 Y=0.86700000 Z=0.41650000
      -3: X=0.13300000 Y=0.58350000 Z=0.86700000
      -3: X=0.86700000 Y=0.13300000 Z=0.58350000
      -3: X=0.58350000 Y=0.86700000 Z=0.13300000
      -3: X=0.86700000 Y=0.41650000 Z=0.86700000
      -3: X=0.41650000 Y=0.86700000 Z=0.86700000
      -3: X=0.86700000 Y=0.58350000 Z=0.13300000
      -3: X=0.58350000 Y=0.13300000 Z=0.86700000
      -3: X=0.13300000 Y=0.41650000 Z=0.13300000
Na         NPT=  781  R0=.000100000 RMT= 2.14        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.39120000 Y=0.39120000 Z=0.17490000
          MULT=12          ISPLIT= 8
      -4: X=0.39120000 Y=0.60880000 Z=0.82510000
      -4: X=0.17490000 Y=0.39120000 Z=0.39120000
      -4: X=0.60880000 Y=0.60880000 Z=0.17490000
      -4: X=0.39120000 Y=0.82510000 Z=0.60880000
      -4: X=0.60880000 Y=0.39120000 Z=0.82510000
      -4: X=0.82510000 Y=0.60880000 Z=0.39120000
      -4: X=0.60880000 Y=0.17490000 Z=0.60880000
      -4: X=0.17490000 Y=0.60880000 Z=0.60880000
      -4: X=0.60880000 Y=0.82510000 Z=0.39120000
      -4: X=0.82510000 Y=0.39120000 Z=0.60880000
      -4: X=0.39120000 Y=0.17490000 Z=0.39120000
Na         NPT=  781  R0=.000100000 RMT= 2.14        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=-2
      -5: X=0.50000000 Y=0.00000000 Z=0.50000000
      -5: X=0.50000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25660000 Y=0.25660000 Z=0.05060000
          MULT=12          ISPLIT= 8
      -6: X=0.25660000 Y=0.74340000 Z=0.94940000
      -6: X=0.05060000 Y=0.25660000 Z=0.25660000
      -6: X=0.74340000 Y=0.74340000 Z=0.05060000
      -6: X=0.25660000 Y=0.94940000 Z=0.74340000
      -6: X=0.74340000 Y=0.25660000 Z=0.94940000
      -6: X=0.94940000 Y=0.74340000 Z=0.25660000
      -6: X=0.74340000 Y=0.05060000 Z=0.74340000
      -6: X=0.05060000 Y=0.74340000 Z=0.74340000
      -6: X=0.74340000 Y=0.94940000 Z=0.25660000
      -6: X=0.94940000 Y=0.25660000 Z=0.74340000
      -6: X=0.25660000 Y=0.05060000 Z=0.25660000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000