R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.839016 17.839016 21.958617 90.000000 90.000000120.000000
ATOM  -1: X=0.56000000 Y=0.42200000 Z=0.23000000
          MULT= 6          ISPLIT=15
      -1: X=0.44000000 Y=0.57800000 Z=0.77000000
      -1: X=0.42200000 Y=0.23000000 Z=0.56000000
      -1: X=0.57800000 Y=0.77000000 Z=0.44000000
      -1: X=0.23000000 Y=0.56000000 Z=0.42200000
      -1: X=0.77000000 Y=0.44000000 Z=0.57800000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -3: X=0.23800000 Y=0.23800000 Z=0.23800000
          MULT= 2          ISPLIT=15
      -3: X=0.76200000 Y=0.76200000 Z=0.76200000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12400000 Y=0.37400000 Z=0.75400000
          MULT= 6          ISPLIT=15
      -4: X=0.87600000 Y=0.62600000 Z=0.24600000
      -4: X=0.37400000 Y=0.75400000 Z=0.12400000
      -4: X=0.62600000 Y=0.24600000 Z=0.87600000
      -4: X=0.75400000 Y=0.12400000 Z=0.37400000
      -4: X=0.24600000 Y=0.87600000 Z=0.62600000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000