B   LATTICE,NONEQUIV.ATOMS   9   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.178728 21.178728 12.314211 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.28100000 Y=0.08050000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.71900000 Y=0.91950000 Z=0.00000000
      -2: X=0.91950000 Y=0.28100000 Z=0.00000000
      -2: X=0.08050000 Y=0.71900000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT= 1.73        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Na         NPT=  781  R0=.000100000 RMT= 2.39        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  -4: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.50000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.39        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  -5: X=0.06650000 Y=0.33810000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.93350000 Y=0.66190000 Z=0.00000000
      -5: X=0.66190000 Y=0.06650000 Z=0.00000000
      -5: X=0.33810000 Y=0.93350000 Z=0.00000000
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  -6: X=0.40190000 Y=0.17950000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.59810000 Y=0.82050000 Z=0.00000000
      -6: X=0.82050000 Y=0.40190000 Z=0.00000000
      -6: X=0.17950000 Y=0.59810000 Z=0.00000000
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  -7: X=0.19480000 Y=0.09810000 Z=0.22340000
          MULT= 8          ISPLIT= 8
      -7: X=0.80520000 Y=0.90190000 Z=0.77660000
      -7: X=0.90190000 Y=0.19480000 Z=0.22340000
      -7: X=0.09810000 Y=0.80520000 Z=0.77660000
      -7: X=0.80520000 Y=0.90190000 Z=0.22340000
      -7: X=0.19480000 Y=0.09810000 Z=0.77660000
      -7: X=0.09810000 Y=0.80520000 Z=0.22340000
      -7: X=0.90190000 Y=0.19480000 Z=0.77660000
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  -8: X=0.10580000 Y=0.23590000 Z=0.24500000
          MULT= 8          ISPLIT= 8
      -8: X=0.89420000 Y=0.76410000 Z=0.75500000
      -8: X=0.76410000 Y=0.10580000 Z=0.24500000
      -8: X=0.23590000 Y=0.89420000 Z=0.75500000
      -8: X=0.89420000 Y=0.76410000 Z=0.24500000
      -8: X=0.10580000 Y=0.23590000 Z=0.75500000
      -8: X=0.23590000 Y=0.89420000 Z=0.24500000
      -8: X=0.76410000 Y=0.10580000 Z=0.75500000
Li         NPT=  781  R0=.000100000 RMT= 1.56        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.21820000 Y=0.41980000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -9: X=0.78180000 Y=0.58020000 Z=0.00000000
      -9: X=0.58020000 Y=0.21820000 Z=0.00000000
      -9: X=0.41980000 Y=0.78180000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.56        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000