P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.717402  7.468198 11.430953 90.000000 90.000000 90.350000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 1.75        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=0.15040000 Y=0.53100000 Z=0.45350000
          MULT= 4          ISPLIT= 8
      -2: X=0.84960000 Y=0.46900000 Z=0.54650000
      -2: X=0.34960000 Y=0.96900000 Z=0.95350000
      -2: X=0.65040000 Y=0.03100000 Z=0.04650000
Nb         NPT=  781  R0=.000010000 RMT= 1.87        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  -3: X=0.46400000 Y=0.49900000 Z=0.19800000
          MULT= 4          ISPLIT= 8
      -3: X=0.53600000 Y=0.50100000 Z=0.80200000
      -3: X=0.03600000 Y=0.00100000 Z=0.69800000
      -3: X=0.96400000 Y=0.99900000 Z=0.30200000
O          NPT=  781  R0=.000100000 RMT= 1.69        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  -4: X=0.19700000 Y=0.50100000 Z=0.11600000
          MULT= 4          ISPLIT= 8
      -4: X=0.80300000 Y=0.49900000 Z=0.88400000
      -4: X=0.30300000 Y=0.99900000 Z=0.61600000
      -4: X=0.69700000 Y=0.00100000 Z=0.38400000
O          NPT=  781  R0=.000100000 RMT= 1.69        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  -5: X=0.15000000 Y=0.00700000 Z=0.41600000
          MULT= 4          ISPLIT= 8
      -5: X=0.85000000 Y=0.99300000 Z=0.58400000
      -5: X=0.35000000 Y=0.49300000 Z=0.91600000
      -5: X=0.65000000 Y=0.50700000 Z=0.08400000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000