CXZ LATTICE,NONEQUIV.ATOMS   7   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 35.746060 10.251575  8.511515 90.000000 90.000000 74.810000                   
ATOM  -1: X=0.84970000 Y=0.21378000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.15030000 Y=0.78622000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     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  -2: X=0.61462000 Y=0.06429000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.38538000 Y=0.93571000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     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= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 2.31        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  -4: X=0.91440000 Y=0.64100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.08560000 Y=0.35900000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 2.31        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=0.23302000 Y=0.15690000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.76698000 Y=0.84310000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 2.31        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=0.69190000 Y=0.47650000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.30810000 Y=0.52350000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 2.31        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  -7: X=0.45656000 Y=0.32550000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.54344000 Y=0.67450000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 2.31        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000