R   LATTICE,NONEQUIV.ATOMS   5  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.418930 17.418930 47.646989 90.000000 90.000000120.000000
ATOM  -1: X=0.65445000 Y=0.29233000 Z=0.40916000
          MULT= 6          ISPLIT=15
      -1: X=0.34555000 Y=0.70767000 Z=0.59084000
      -1: X=0.29233000 Y=0.40916000 Z=0.65445000
      -1: X=0.70767000 Y=0.59084000 Z=0.34555000
      -1: X=0.40916000 Y=0.65445000 Z=0.29233000
      -1: X=0.59084000 Y=0.34555000 Z=0.70767000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.30370000 Y=0.84709000 Z=0.02600000
          MULT= 6          ISPLIT=15
      -2: X=0.69630000 Y=0.15291000 Z=0.97400000
      -2: X=0.84709000 Y=0.02600000 Z=0.30370000
      -2: X=0.15291000 Y=0.97400000 Z=0.69630000
      -2: X=0.02600000 Y=0.30370000 Z=0.84709000
      -2: X=0.97400000 Y=0.69630000 Z=0.15291000
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  -3: X=0.57510000 Y=0.43830000 Z=0.15570000
          MULT= 6          ISPLIT=15
      -3: X=0.42490000 Y=0.56170000 Z=0.84430000
      -3: X=0.43830000 Y=0.15570000 Z=0.57510000
      -3: X=0.56170000 Y=0.84430000 Z=0.42490000
      -3: X=0.15570000 Y=0.57510000 Z=0.43830000
      -3: X=0.84430000 Y=0.42490000 Z=0.56170000
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  -4: X=0.36170000 Y=0.22089000 Z=0.92000000
          MULT= 6          ISPLIT=15
      -4: X=0.63830000 Y=0.77911000 Z=0.08000000
      -4: X=0.22089000 Y=0.92000000 Z=0.36170000
      -4: X=0.77911000 Y=0.08000000 Z=0.63830000
      -4: X=0.92000000 Y=0.36170000 Z=0.22089000
      -4: X=0.08000000 Y=0.63830000 Z=0.77911000
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=0.00000000 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