B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.710401 20.447026 15.193209 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.11936000 Z=0.12948000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.88064000 Z=0.87052000
      -1: X=0.00000000 Y=0.61936000 Z=0.87052000
      -1: X=0.00000000 Y=0.38064000 Z=0.12948000
C          NPT=  781  R0=.000100000 RMT= 1.36        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.13740000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.86260000
B          NPT=  781  R0=.000100000 RMT= 1.30        Z:   5.00000              
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=0.16718000 Z=0.51249000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.83282000 Z=0.48751000
      -3: X=0.00000000 Y=0.66718000 Z=0.48751000
      -3: X=0.00000000 Y=0.33282000 Z=0.51249000
B          NPT=  781  R0=.000100000 RMT= 1.30        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.07409000 Z=0.32277000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.92591000 Z=0.67723000
      -4: X=0.00000000 Y=0.57409000 Z=0.67723000
      -4: X=0.00000000 Y=0.42591000 Z=0.32277000
B          NPT=  781  R0=.000100000 RMT= 1.30        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.24660000 Y=0.07204000 Z=0.05169000
          MULT= 8          ISPLIT= 8
      -5: X=0.75340000 Y=0.92796000 Z=0.94831000
      -5: X=0.24660000 Y=0.57204000 Z=0.94831000
      -5: X=0.75340000 Y=0.42796000 Z=0.05169000
      -5: X=0.75340000 Y=0.07204000 Z=0.05169000
      -5: X=0.24660000 Y=0.92796000 Z=0.94831000
      -5: X=0.75340000 Y=0.57204000 Z=0.94831000
      -5: X=0.24660000 Y=0.42796000 Z=0.05169000
B          NPT=  781  R0=.000100000 RMT= 1.30        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33936000 Y=0.56906000 Z=0.15963000
          MULT= 8          ISPLIT= 8
      -6: X=0.66064000 Y=0.43094000 Z=0.84037000
      -6: X=0.33936000 Y=0.06906000 Z=0.84037000
      -6: X=0.66064000 Y=0.93094000 Z=0.15963000
      -6: X=0.66064000 Y=0.56906000 Z=0.15963000
      -6: X=0.33936000 Y=0.43094000 Z=0.84037000
      -6: X=0.66064000 Y=0.06906000 Z=0.84037000
      -6: X=0.33936000 Y=0.93094000 Z=0.15963000
B          NPT=  781  R0=.000100000 RMT= 1.30        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.81630000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.18370000
Li         NPT=  781  R0=.000100000 RMT= 2.29        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000