P   LATTICE,NONEQUIV.ATOMS   9   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.490765 12.314778 24.547542 90.000000 90.000000122.697000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.19        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  -2: X=0.36120000 Y=0.15430000 Z=0.35000000
          MULT= 4          ISPLIT= 8
      -2: X=0.63880000 Y=0.84570000 Z=0.65000000
      -2: X=0.13880000 Y=0.34570000 Z=0.85000000
      -2: X=0.86120000 Y=0.65430000 Z=0.15000000
Ba         NPT=  781  R0=.000010000 RMT= 2.19        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  -3: X=0.04760000 Y=0.37980000 Z=0.68480000
          MULT= 4          ISPLIT= 8
      -3: X=0.95240000 Y=0.62020000 Z=0.31520000
      -3: X=0.45240000 Y=0.12020000 Z=0.18480000
      -3: X=0.54760000 Y=0.87980000 Z=0.81520000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36100000 Y=0.30640000 Z=0.08510000
          MULT= 4          ISPLIT= 8
      -4: X=0.63900000 Y=0.69360000 Z=0.91490000
      -4: X=0.13900000 Y=0.19360000 Z=0.58510000
      -4: X=0.86100000 Y=0.80640000 Z=0.41490000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27450000 Y=0.63050000 Z=0.21590000
          MULT= 4          ISPLIT= 8
      -5: X=0.72550000 Y=0.36950000 Z=0.78410000
      -5: X=0.22550000 Y=0.86950000 Z=0.71590000
      -5: X=0.77450000 Y=0.13050000 Z=0.28410000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.18430000 Y=0.59830000 Z=0.06350000
          MULT= 4          ISPLIT= 8
      -6: X=0.81570000 Y=0.40170000 Z=0.93650000
      -6: X=0.31570000 Y=0.90170000 Z=0.56350000
      -6: X=0.68430000 Y=0.09830000 Z=0.43650000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.14030000 Y=0.26280000 Z=0.27500000
          MULT= 4          ISPLIT= 8
      -7: X=0.85970000 Y=0.73720000 Z=0.72500000
      -7: X=0.35970000 Y=0.23720000 Z=0.77500000
      -7: X=0.64030000 Y=0.76280000 Z=0.22500000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.18850000 Y=0.29080000 Z=0.00800000
          MULT= 4          ISPLIT= 8
      -8: X=0.81150000 Y=0.70920000 Z=0.99200000
      -8: X=0.31150000 Y=0.20920000 Z=0.50800000
      -8: X=0.68850000 Y=0.79080000 Z=0.49200000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.14890000 Y=0.05410000 Z=0.14820000
          MULT= 4          ISPLIT= 8
      -9: X=0.85110000 Y=0.94590000 Z=0.85180000
      -9: X=0.35110000 Y=0.44590000 Z=0.64820000
      -9: X=0.64890000 Y=0.55410000 Z=0.35180000
P          NPT=  781  R0=.000100000 RMT= 1.98        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000