P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.783576 11.498606 22.940519 90.000000 90.000000 97.058000                   
ATOM  -1: X=0.25890000 Y=0.05670000 Z=0.37960000
          MULT= 4          ISPLIT= 8
      -1: X=0.74110000 Y=0.94330000 Z=0.62040000
      -1: X=0.24110000 Y=0.44330000 Z=0.87960000
      -1: X=0.75890000 Y=0.55670000 Z=0.12040000
Ba         NPT=  781  R0=.000010000 RMT= 2.47        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=0.30180000 Y=0.54120000 Z=0.13070000
          MULT= 4          ISPLIT= 8
      -2: X=0.69820000 Y=0.45880000 Z=0.86930000
      -2: X=0.19820000 Y=0.95880000 Z=0.63070000
      -2: X=0.80180000 Y=0.04120000 Z=0.36930000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26680000 Y=0.12490000 Z=0.12390000
          MULT= 4          ISPLIT= 8
      -3: X=0.73320000 Y=0.87510000 Z=0.87610000
      -3: X=0.23320000 Y=0.37510000 Z=0.62390000
      -3: X=0.76680000 Y=0.62490000 Z=0.37610000
S          NPT=  781  R0=.000100000 RMT= 2.13        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  -4: X=0.39160000 Y=0.56990000 Z=0.33810000
          MULT= 4          ISPLIT= 8
      -4: X=0.60840000 Y=0.43010000 Z=0.66190000
      -4: X=0.10840000 Y=0.93010000 Z=0.83810000
      -4: X=0.89160000 Y=0.06990000 Z=0.16190000
S          NPT=  781  R0=.000100000 RMT= 2.13        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000