P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.994403 11.750317 11.132377 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.33240000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.66760000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.11920000 Y=0.82680000 Z=0.41190000
          MULT= 4          ISPLIT= 8
      -2: X=0.38080000 Y=0.17320000 Z=0.91190000
      -2: X=0.88080000 Y=0.82680000 Z=0.41190000
      -2: X=0.61920000 Y=0.17320000 Z=0.91190000
Al         NPT=  781  R0=.000100000 RMT= 2.12        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24830000 Y=0.31390000 Z=0.42780000
          MULT= 4          ISPLIT= 8
      -3: X=0.25170000 Y=0.68610000 Z=0.92780000
      -3: X=0.75170000 Y=0.31390000 Z=0.42780000
      -3: X=0.74830000 Y=0.68610000 Z=0.92780000
Al         NPT=  781  R0=.000100000 RMT= 2.12        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.38180000 Y=0.19340000 Z=0.53390000
          MULT= 4          ISPLIT= 8
      -4: X=0.11820000 Y=0.80660000 Z=0.03390000
      -4: X=0.61820000 Y=0.19340000 Z=0.53390000
      -4: X=0.88180000 Y=0.80660000 Z=0.03390000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.11650000 Y=0.16980000 Z=0.52130000
          MULT= 4          ISPLIT= 8
      -5: X=0.38350000 Y=0.83020000 Z=0.02130000
      -5: X=0.88350000 Y=0.16980000 Z=0.52130000
      -5: X=0.61650000 Y=0.83020000 Z=0.02130000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.24980000 Y=0.33210000 Z=0.03690000
          MULT= 4          ISPLIT= 8
      -6: X=0.25020000 Y=0.66790000 Z=0.53690000
      -6: X=0.75020000 Y=0.33210000 Z=0.03690000
      -6: X=0.74980000 Y=0.66790000 Z=0.53690000
S          NPT=  781  R0=.000100000 RMT= 2.02        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  -7: X=0.00000000 Y=0.64110000 Z=0.52960000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.35890000 Z=0.02960000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000