H   LATTICE,NONEQUIV.ATOMS   6  173 P63     
MODE OF CALC=RELA unit=bohr
 19.501974 19.501974 10.847028 90.000000 90.000000120.000000
ATOM  -1: X=0.12300000 Y=0.35800000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.76500000 Y=0.12300000 Z=0.75000000
      -1: X=0.64200000 Y=0.76500000 Z=0.25000000
      -1: X=0.87700000 Y=0.64200000 Z=0.75000000
      -1: X=0.23500000 Y=0.87700000 Z=0.25000000
      -1: X=0.35800000 Y=0.23500000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.02600000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.52600000
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
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=0.66500000
          MULT= 2          ISPLIT=15
      -3: X=0.66666666 Y=0.33333333 Z=0.16500000
Be         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   4.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25300000 Y=0.16700000 Z=0.26600000
          MULT= 6          ISPLIT=15
      -4: X=0.08600000 Y=0.25300000 Z=0.76600000
      -4: X=0.83300000 Y=0.08600000 Z=0.26600000
      -4: X=0.74700000 Y=0.83300000 Z=0.76600000
      -4: X=0.91400000 Y=0.74700000 Z=0.26600000
      -4: X=0.16700000 Y=0.91400000 Z=0.76600000
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  -5: X=0.52300000 Y=0.11500000 Z=0.02200000
          MULT= 6          ISPLIT=15
      -5: X=0.40800000 Y=0.52300000 Z=0.52200000
      -5: X=0.88500000 Y=0.40800000 Z=0.02200000
      -5: X=0.47700000 Y=0.88500000 Z=0.52200000
      -5: X=0.59200000 Y=0.47700000 Z=0.02200000
      -5: X=0.11500000 Y=0.59200000 Z=0.52200000
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=0.33333333 Y=0.66666667 Z=0.02700000
          MULT= 2          ISPLIT=15
      -6: X=0.66666666 Y=0.33333333 Z=0.52700000
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