CXZ LATTICE,NONEQUIV.ATOMS   7    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.440067  8.758881 15.131037 90.000000 90.000000 75.870000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.24640000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 1.70        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=0.00000000 Y=0.50000000 Z=0.62217000
          MULT= 1          ISPLIT= 8
Al         NPT=  781  R0=.000100000 RMT= 1.73        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=0.71474000 Y=0.09354000 Z=0.46355000
          MULT= 2          ISPLIT= 8
      -3: X=0.28526000 Y=0.90646000 Z=0.46355000
As         NPT=  781  R0=.000050000 RMT= 1.62        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=0.00000000 Y=0.00000000 Z=0.05470000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.89360000 Y=0.76930000 Z=0.44440000
          MULT= 2          ISPLIT= 8
      -5: X=0.10640000 Y=0.23070000 Z=0.44440000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.65150000 Y=0.23940000 Z=0.27740000
          MULT= 2          ISPLIT= 8
      -6: X=0.34850000 Y=0.76060000 Z=0.27740000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.74530000 Y=0.66200000 Z=0.10560000
          MULT= 2          ISPLIT= 8
      -7: X=0.25470000 Y=0.33800000 Z=0.10560000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000