B   LATTICE,NONEQUIV.ATOMS   4  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.558374 21.558374 37.108741 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 4          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.62500000
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
      -1: X=0.00000000 Y=0.75000000 Z=0.12500000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02581000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.97419000 Y=0.00000000 Z=0.75000000
      -2: X=0.25000000 Y=0.77581000 Z=0.50000000
      -2: X=0.25000000 Y=0.72419000 Z=0.00000000
      -2: X=0.97419000 Y=0.50000000 Z=0.25000000
      -2: X=0.02581000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.22419000 Z=0.00000000
      -2: X=0.25000000 Y=0.27581000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.98        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.27928000 Y=0.33207000 Z=0.08740000
          MULT=16          ISPLIT= 8
      -3: X=0.72072000 Y=0.66793000 Z=0.91260000
      -3: X=0.91793000 Y=0.02928000 Z=0.33740000
      -3: X=0.58207000 Y=0.47072000 Z=0.16260000
      -3: X=0.72072000 Y=0.33207000 Z=0.58740000
      -3: X=0.27928000 Y=0.66793000 Z=0.41260000
      -3: X=0.72072000 Y=0.16793000 Z=0.08740000
      -3: X=0.27928000 Y=0.83207000 Z=0.91260000
      -3: X=0.91793000 Y=0.47072000 Z=0.83740000
      -3: X=0.58207000 Y=0.02928000 Z=0.66260000
      -3: X=0.58207000 Y=0.97072000 Z=0.83740000
      -3: X=0.91793000 Y=0.52928000 Z=0.66260000
      -3: X=0.27928000 Y=0.16793000 Z=0.58740000
      -3: X=0.72072000 Y=0.83207000 Z=0.41260000
      -3: X=0.58207000 Y=0.52928000 Z=0.33740000
      -3: X=0.91793000 Y=0.97072000 Z=0.16260000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.09437000 Y=0.12426000 Z=0.00600000
          MULT=16          ISPLIT= 8
      -4: X=0.90563000 Y=0.87574000 Z=0.99400000
      -4: X=0.12574000 Y=0.84437000 Z=0.25600000
      -4: X=0.37426000 Y=0.65563000 Z=0.24400000
      -4: X=0.90563000 Y=0.12426000 Z=0.50600000
      -4: X=0.09437000 Y=0.87574000 Z=0.49400000
      -4: X=0.90563000 Y=0.37574000 Z=0.00600000
      -4: X=0.09437000 Y=0.62426000 Z=0.99400000
      -4: X=0.12574000 Y=0.65563000 Z=0.75600000
      -4: X=0.37426000 Y=0.84437000 Z=0.74400000
      -4: X=0.37426000 Y=0.15563000 Z=0.75600000
      -4: X=0.12574000 Y=0.34437000 Z=0.74400000
      -4: X=0.09437000 Y=0.37574000 Z=0.50600000
      -4: X=0.90563000 Y=0.62426000 Z=0.49400000
      -4: X=0.37426000 Y=0.34437000 Z=0.25600000
      -4: X=0.12574000 Y=0.15563000 Z=0.24400000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000