P   LATTICE,NONEQUIV.ATOMS   9   14 P21/n   
MODE OF CALC=RELA unit=bohr
 18.697895 14.193544 12.826516 90.000000 90.000000 90.560000
ATOM  -1: X=0.09500000 Y=0.26200000 Z=0.30700000
          MULT= 4          ISPLIT=15
      -1: X=0.90500000 Y=0.73800000 Z=0.69300000
      -1: X=0.40500000 Y=0.23800000 Z=0.80700000
      -1: X=0.59500000 Y=0.76200000 Z=0.19300000
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  -2: X=0.02410000 Y=0.74690000 Z=0.09440000
          MULT= 4          ISPLIT=15
      -2: X=0.97590000 Y=0.25310000 Z=0.90560000
      -2: X=0.47590000 Y=0.75310000 Z=0.59440000
      -2: X=0.52410000 Y=0.24690000 Z=0.40560000
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  -3: X=0.32500000 Y=0.47610000 Z=0.08230000
          MULT= 4          ISPLIT=15
      -3: X=0.67500000 Y=0.52390000 Z=0.91770000
      -3: X=0.17500000 Y=0.02390000 Z=0.58230000
      -3: X=0.82500000 Y=0.97610000 Z=0.41770000
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  -4: X=0.32750000 Y=0.01970000 Z=0.08190000
          MULT= 4          ISPLIT=15
      -4: X=0.67250000 Y=0.98030000 Z=0.91810000
      -4: X=0.17250000 Y=0.48030000 Z=0.58190000
      -4: X=0.82750000 Y=0.51970000 Z=0.41810000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.06400000 Y=0.07000000 Z=0.19400000
          MULT= 4          ISPLIT=15
      -5: X=0.93600000 Y=0.93000000 Z=0.80600000
      -5: X=0.43600000 Y=0.43000000 Z=0.69400000
      -5: X=0.56400000 Y=0.57000000 Z=0.30600000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.06500000 Y=0.43700000 Z=0.18200000
          MULT= 4          ISPLIT=15
      -6: X=0.93500000 Y=0.56300000 Z=0.81800000
      -6: X=0.43500000 Y=0.06300000 Z=0.68200000
      -6: X=0.56500000 Y=0.93700000 Z=0.31800000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28100000 Y=0.72000000 Z=0.33200000
          MULT= 4          ISPLIT=15
      -7: X=0.71900000 Y=0.28000000 Z=0.66800000
      -7: X=0.21900000 Y=0.78000000 Z=0.83200000
      -7: X=0.78100000 Y=0.22000000 Z=0.16800000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.26900000 Y=0.27500000 Z=0.36800000
          MULT= 4          ISPLIT=15
      -8: X=0.73100000 Y=0.72500000 Z=0.63200000
      -8: X=0.23100000 Y=0.22500000 Z=0.86800000
      -8: X=0.76900000 Y=0.77500000 Z=0.13200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00800000 Y=0.27100000 Z=0.51900000
          MULT= 4          ISPLIT=15
      -9: X=0.99200000 Y=0.72900000 Z=0.48100000
      -9: X=0.49200000 Y=0.22900000 Z=0.01900000
      -9: X=0.50800000 Y=0.77100000 Z=0.98100000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000