B   LATTICE,NONEQUIV.ATOMS   6   73 Ibca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.288004 18.388925 26.730176 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.41921000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.58079000
      -1: X=0.00000000 Y=0.25000000 Z=0.91921000
      -1: X=0.00000000 Y=0.75000000 Z=0.08079000
Ta         NPT=  781  R0=.000005000 RMT= 1.96        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.36340000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.63660000 Z=0.00000000
      -2: X=0.25000000 Y=0.86340000 Z=0.00000000
      -2: X=0.75000000 Y=0.13660000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 1.61        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.31930000 Y=0.12490000 Z=0.16280000
          MULT= 8          ISPLIT= 8
      -3: X=0.68070000 Y=0.87510000 Z=0.83720000
      -3: X=0.31930000 Y=0.62490000 Z=0.83720000
      -3: X=0.68070000 Y=0.37510000 Z=0.16280000
      -3: X=0.68070000 Y=0.12490000 Z=0.66280000
      -3: X=0.31930000 Y=0.87510000 Z=0.33720000
      -3: X=0.68070000 Y=0.62490000 Z=0.33720000
      -3: X=0.31930000 Y=0.37510000 Z=0.66280000
N          NPT=  781  R0=.000100000 RMT= 1.61        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02110000 Y=0.03690000 Z=0.08470000
          MULT= 8          ISPLIT= 8
      -4: X=0.97890000 Y=0.96310000 Z=0.91530000
      -4: X=0.02110000 Y=0.53690000 Z=0.91530000
      -4: X=0.97890000 Y=0.46310000 Z=0.08470000
      -4: X=0.97890000 Y=0.03690000 Z=0.58470000
      -4: X=0.02110000 Y=0.96310000 Z=0.41530000
      -4: X=0.97890000 Y=0.53690000 Z=0.41530000
      -4: X=0.02110000 Y=0.46310000 Z=0.58470000
Li         NPT=  781  R0=.000100000 RMT= 1.76        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  -5: X=0.00000000 Y=0.25000000 Z=0.23080000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.76920000
      -5: X=0.00000000 Y=0.25000000 Z=0.73080000
      -5: X=0.00000000 Y=0.75000000 Z=0.26920000
Li         NPT=  781  R0=.000100000 RMT= 1.76        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  -6: X=0.09610000 Y=0.00000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.90390000 Y=0.00000000 Z=0.75000000
      -6: X=0.09610000 Y=0.50000000 Z=0.75000000
      -6: X=0.90390000 Y=0.50000000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 1.76        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000