R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.158715 17.158715 21.070447 90.000000 90.000000120.000000
ATOM  -1: X=0.56000000 Y=0.41900000 Z=0.22400000
          MULT= 6          ISPLIT=15
      -1: X=0.44000000 Y=0.58100000 Z=0.77600000
      -1: X=0.41900000 Y=0.22400000 Z=0.56000000
      -1: X=0.58100000 Y=0.77600000 Z=0.44000000
      -1: X=0.22400000 Y=0.56000000 Z=0.41900000
      -1: X=0.77600000 Y=0.44000000 Z=0.58100000
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=0.23900000 Y=0.23900000 Z=0.23900000
          MULT= 2          ISPLIT=15
      -3: X=0.76100000 Y=0.76100000 Z=0.76100000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12600000 Y=0.37400000 Z=0.74900000
          MULT= 6          ISPLIT=15
      -4: X=0.87400000 Y=0.62600000 Z=0.25100000
      -4: X=0.37400000 Y=0.74900000 Z=0.12600000
      -4: X=0.62600000 Y=0.25100000 Z=0.87400000
      -4: X=0.74900000 Y=0.12600000 Z=0.37400000
      -4: X=0.25100000 Y=0.87400000 Z=0.62600000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000