H   LATTICE,NONEQUIV.ATOMS   7  185 P63cm   
MODE OF CALC=RELA unit=bohr
 12.717857 12.717857 34.411913 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 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=0.00000000 Y=0.00000000 Z=0.16700000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.66700000
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=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.66666666 Y=0.33333333 Z=0.50000000
      -3: X=0.66666667 Y=0.33333333 Z=0.00000000
      -3: X=0.33333334 Y=0.66666667 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  -4: X=0.33333333 Y=0.66666667 Z=0.25200000
          MULT= 4          ISPLIT=15
      -4: X=0.66666666 Y=0.33333333 Z=0.75200000
      -4: X=0.66666667 Y=0.33333333 Z=0.25200000
      -4: X=0.33333334 Y=0.66666667 Z=0.75200000
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  -5: X=0.36400000 Y=0.00000000 Z=0.37600000
          MULT= 6          ISPLIT=15
      -5: X=0.36400000 Y=0.36400000 Z=0.87600000
      -5: X=0.00000000 Y=0.36400000 Z=0.37600000
      -5: X=0.63600000 Y=0.00000000 Z=0.87600000
      -5: X=0.63600000 Y=0.63600000 Z=0.37600000
      -5: X=0.00000000 Y=0.63600000 Z=0.87600000
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  -6: X=0.32900000 Y=0.00000000 Z=0.08700000
          MULT= 6          ISPLIT=15
      -6: X=0.32900000 Y=0.32900000 Z=0.58700000
      -6: X=0.00000000 Y=0.32900000 Z=0.08700000
      -6: X=0.67100000 Y=0.00000000 Z=0.58700000
      -6: X=0.67100000 Y=0.67100000 Z=0.08700000
      -6: X=0.00000000 Y=0.67100000 Z=0.58700000
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  -7: X=0.67000000 Y=0.00000000 Z=0.21100000
          MULT= 6          ISPLIT=15
      -7: X=0.67000000 Y=0.67000000 Z=0.71100000
      -7: X=0.00000000 Y=0.67000000 Z=0.21100000
      -7: X=0.33000000 Y=0.00000000 Z=0.71100000
      -7: X=0.33000000 Y=0.33000000 Z=0.21100000
      -7: X=0.00000000 Y=0.33000000 Z=0.71100000
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