R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.389260 17.389260 42.343092 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
Na         NPT=  781  R0=.000100000 RMT= 2.29        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  -2: X=0.88350000 Y=0.61650000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.11650000 Y=0.38350000 Z=0.75000000
      -2: X=0.61650000 Y=0.25000000 Z=0.88350000
      -2: X=0.38350000 Y=0.75000000 Z=0.11650000
      -2: X=0.25000000 Y=0.88350000 Z=0.61650000
      -2: X=0.75000000 Y=0.11650000 Z=0.38350000
Na         NPT=  781  R0=.000100000 RMT= 2.29        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.14480000 Y=0.14480000 Z=0.14480000
          MULT= 4          ISPLIT= 4
      -3: X=0.85520000 Y=0.85520000 Z=0.85520000
      -3: X=0.64480000 Y=0.64480000 Z=0.64480000
      -3: X=0.35520000 Y=0.35520000 Z=0.35520000
Hf         NPT=  781  R0=.000005000 RMT= 2.01        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.54400000 Y=0.95600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.45600000 Y=0.04400000 Z=0.75000000
      -4: X=0.95600000 Y=0.25000000 Z=0.54400000
      -4: X=0.04400000 Y=0.75000000 Z=0.45600000
      -4: X=0.25000000 Y=0.54400000 Z=0.95600000
      -4: X=0.75000000 Y=0.45600000 Z=0.04400000
Ge         NPT=  781  R0=.000050000 RMT= 1.67        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.26420000 Y=0.06100000 Z=0.92470000
          MULT=12          ISPLIT= 8
      -5: X=0.73580000 Y=0.93900000 Z=0.07530000
      -5: X=0.06100000 Y=0.92470000 Z=0.26420000
      -5: X=0.93900000 Y=0.07530000 Z=0.73580000
      -5: X=0.76420000 Y=0.42470000 Z=0.56100000
      -5: X=0.23580000 Y=0.57530000 Z=0.43900000
      -5: X=0.92470000 Y=0.26420000 Z=0.06100000
      -5: X=0.07530000 Y=0.73580000 Z=0.93900000
      -5: X=0.42470000 Y=0.56100000 Z=0.76420000
      -5: X=0.57530000 Y=0.43900000 Z=0.23580000
      -5: X=0.56100000 Y=0.76420000 Z=0.42470000
      -5: X=0.43900000 Y=0.23580000 Z=0.57530000
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  -6: X=0.21280000 Y=0.36310000 Z=0.98810000
          MULT=12          ISPLIT= 8
      -6: X=0.78720000 Y=0.63690000 Z=0.01190000
      -6: X=0.36310000 Y=0.98810000 Z=0.21280000
      -6: X=0.63690000 Y=0.01190000 Z=0.78720000
      -6: X=0.71280000 Y=0.48810000 Z=0.86310000
      -6: X=0.28720000 Y=0.51190000 Z=0.13690000
      -6: X=0.98810000 Y=0.21280000 Z=0.36310000
      -6: X=0.01190000 Y=0.78720000 Z=0.63690000
      -6: X=0.48810000 Y=0.86310000 Z=0.71280000
      -6: X=0.51190000 Y=0.13690000 Z=0.28720000
      -6: X=0.86310000 Y=0.71280000 Z=0.48810000
      -6: X=0.13690000 Y=0.28720000 Z=0.51190000
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