CXY LATTICE,NONEQUIV.ATOMS   5   65 Cmmm    
MODE OF CALC=RELA unit=bohr
 13.774214 17.547997  6.621600 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.30040000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.69960000 Z=0.50000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18020000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -2: X=0.81980000 Y=0.00000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   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=0.38000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.62000000 Y=0.00000000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22250000 Y=0.15970000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -4: X=0.77750000 Y=0.84030000 Z=0.00000000
      -4: X=0.77750000 Y=0.15970000 Z=0.00000000
      -4: X=0.22250000 Y=0.84030000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.09060000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.90940000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000