B   LATTICE,NONEQUIV.ATOMS   6   73 Ibca                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.335008 21.599570 21.826337 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16200000 Y=0.37000000 Z=0.10000000
          MULT= 8          ISPLIT= 8
      -1: X=0.83800000 Y=0.63000000 Z=0.90000000
      -1: X=0.16200000 Y=0.87000000 Z=0.90000000
      -1: X=0.83800000 Y=0.13000000 Z=0.10000000
      -1: X=0.83800000 Y=0.37000000 Z=0.60000000
      -1: X=0.16200000 Y=0.63000000 Z=0.40000000
      -1: X=0.83800000 Y=0.87000000 Z=0.40000000
      -1: X=0.16200000 Y=0.13000000 Z=0.60000000
Li         NPT=  781  R0=.000100000 RMT= 2.26        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  -2: X=0.12100000 Y=0.10000000 Z=0.12900000
          MULT= 8          ISPLIT= 8
      -2: X=0.87900000 Y=0.90000000 Z=0.87100000
      -2: X=0.12100000 Y=0.60000000 Z=0.87100000
      -2: X=0.87900000 Y=0.40000000 Z=0.12900000
      -2: X=0.87900000 Y=0.10000000 Z=0.62900000
      -2: X=0.12100000 Y=0.90000000 Z=0.37100000
      -2: X=0.87900000 Y=0.60000000 Z=0.37100000
      -2: X=0.12100000 Y=0.40000000 Z=0.62900000
Al         NPT=  781  R0=.000100000 RMT= 2.22        Z:  13.00000              
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= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24000000 Y=0.00000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.76000000 Y=0.00000000 Z=0.75000000
      -4: X=0.24000000 Y=0.50000000 Z=0.75000000
      -4: X=0.76000000 Y=0.50000000 Z=0.25000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.19000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.81000000 Z=0.00000000
      -5: X=0.25000000 Y=0.69000000 Z=0.00000000
      -5: X=0.75000000 Y=0.31000000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.25000000 Z=0.20000000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.80000000
      -6: X=0.00000000 Y=0.25000000 Z=0.70000000
      -6: X=0.00000000 Y=0.75000000 Z=0.30000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000