R   LATTICE,NONEQUIV.ATOMS   7  148 R-3     
MODE OF CALC=RELA unit=bohr
 18.551442 18.551442 51.461019 90.000000 90.000000120.000000
ATOM  -1: X=0.22250000 Y=0.22250000 Z=0.22250000
          MULT= 2          ISPLIT=15
      -1: X=0.77750000 Y=0.77750000 Z=0.77750000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  55.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          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=0.23046000 Y=0.11201000 Z=0.81752000
          MULT= 6          ISPLIT=15
      -3: X=0.76954000 Y=0.88799000 Z=0.18248000
      -3: X=0.11201000 Y=0.81752000 Z=0.23046000
      -3: X=0.88799000 Y=0.18248000 Z=0.76954000
      -3: X=0.81752000 Y=0.23046000 Z=0.11201000
      -3: X=0.18248000 Y=0.76954000 Z=0.88799000
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  -4: X=0.34990000 Y=0.93040000 Z=0.05300000
          MULT= 6          ISPLIT=15
      -4: X=0.65010000 Y=0.06960000 Z=0.94700000
      -4: X=0.93040000 Y=0.05300000 Z=0.34990000
      -4: X=0.06960000 Y=0.94700000 Z=0.65010000
      -4: X=0.05300000 Y=0.34990000 Z=0.93040000
      -4: X=0.94700000 Y=0.65010000 Z=0.06960000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.57220000 Y=0.13149000 Z=0.28760000
          MULT= 6          ISPLIT=15
      -5: X=0.42780000 Y=0.86851000 Z=0.71240000
      -5: X=0.13149000 Y=0.28760000 Z=0.57220000
      -5: X=0.86851000 Y=0.71240000 Z=0.42780000
      -5: X=0.28760000 Y=0.57220000 Z=0.13149000
      -5: X=0.71240000 Y=0.42780000 Z=0.86851000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.36230000 Y=0.51451000 Z=0.78700000
          MULT= 6          ISPLIT=15
      -6: X=0.63770000 Y=0.48549000 Z=0.21300000
      -6: X=0.51451000 Y=0.78700000 Z=0.36230000
      -6: X=0.48549000 Y=0.21300000 Z=0.63770000
      -6: X=0.78700000 Y=0.36230000 Z=0.51451000
      -6: X=0.21300000 Y=0.63770000 Z=0.48549000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000