B   LATTICE,NONEQUIV.ATOMS   6   73 Ibca                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.807440 22.015309 22.260974 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15300000 Y=0.36700000 Z=0.10300000
          MULT= 8          ISPLIT= 8
      -1: X=0.84700000 Y=0.63300000 Z=0.89700000
      -1: X=0.15300000 Y=0.86700000 Z=0.89700000
      -1: X=0.84700000 Y=0.13300000 Z=0.10300000
      -1: X=0.84700000 Y=0.36700000 Z=0.60300000
      -1: X=0.15300000 Y=0.63300000 Z=0.39700000
      -1: X=0.84700000 Y=0.86700000 Z=0.39700000
      -1: X=0.15300000 Y=0.13300000 Z=0.60300000
Li         NPT=  781  R0=.000100000 RMT= 2.06        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=0.11300000 Y=0.10700000 Z=0.14000000
          MULT= 8          ISPLIT= 8
      -2: X=0.88700000 Y=0.89300000 Z=0.86000000
      -2: X=0.11300000 Y=0.60700000 Z=0.86000000
      -2: X=0.88700000 Y=0.39300000 Z=0.14000000
      -2: X=0.88700000 Y=0.10700000 Z=0.64000000
      -2: X=0.11300000 Y=0.89300000 Z=0.36000000
      -2: X=0.88700000 Y=0.60700000 Z=0.36000000
      -2: X=0.11300000 Y=0.39300000 Z=0.64000000
Al         NPT=  781  R0=.000100000 RMT= 2.14        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
As         NPT=  781  R0=.000050000 RMT= 2.37        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25100000 Y=0.00000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74900000 Y=0.00000000 Z=0.75000000
      -4: X=0.25100000 Y=0.50000000 Z=0.75000000
      -4: X=0.74900000 Y=0.50000000 Z=0.25000000
As         NPT=  781  R0=.000050000 RMT= 2.37        Z:  33.00000              
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=0.18500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.81500000 Z=0.00000000
      -5: X=0.25000000 Y=0.68500000 Z=0.00000000
      -5: X=0.75000000 Y=0.31500000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.37        Z:  33.00000              
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=0.24300000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.75700000
      -6: X=0.00000000 Y=0.25000000 Z=0.74300000
      -6: X=0.00000000 Y=0.75000000 Z=0.25700000
As         NPT=  781  R0=.000050000 RMT= 2.37        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000