P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.918814 11.786222 11.213635 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.33140000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.66860000 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=0.11950000 Y=0.82680000 Z=0.39720000
          MULT= 4          ISPLIT= 8
      -2: X=0.38050000 Y=0.17320000 Z=0.89720000
      -2: X=0.88050000 Y=0.82680000 Z=0.39720000
      -2: X=0.61950000 Y=0.17320000 Z=0.89720000
Ga         NPT=  781  R0=.000050000 RMT= 2.27        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24860000 Y=0.31210000 Z=0.41370000
          MULT= 4          ISPLIT= 8
      -3: X=0.25140000 Y=0.68790000 Z=0.91370000
      -3: X=0.75140000 Y=0.31210000 Z=0.41370000
      -3: X=0.74860000 Y=0.68790000 Z=0.91370000
Ga         NPT=  781  R0=.000050000 RMT= 2.27        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.38550000 Y=0.19190000 Z=0.51880000
          MULT= 4          ISPLIT= 8
      -4: X=0.11450000 Y=0.80810000 Z=0.01880000
      -4: X=0.61450000 Y=0.19190000 Z=0.51880000
      -4: X=0.88550000 Y=0.80810000 Z=0.01880000
S          NPT=  781  R0=.000100000 RMT= 1.95        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=0.11230000 Y=0.17140000 Z=0.50900000
          MULT= 4          ISPLIT= 8
      -5: X=0.38770000 Y=0.82860000 Z=0.00900000
      -5: X=0.88770000 Y=0.17140000 Z=0.50900000
      -5: X=0.61230000 Y=0.82860000 Z=0.00900000
S          NPT=  781  R0=.000100000 RMT= 1.95        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=0.24600000 Y=0.33010000 Z=0.02350000
          MULT= 4          ISPLIT= 8
      -6: X=0.25400000 Y=0.66990000 Z=0.52350000
      -6: X=0.75400000 Y=0.33010000 Z=0.02350000
      -6: X=0.74600000 Y=0.66990000 Z=0.52350000
S          NPT=  781  R0=.000100000 RMT= 1.95        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=0.62860000 Z=0.51960000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.37140000 Z=0.01960000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000