P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.321830 10.592671 25.920995 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.76970000 Y=0.34050000 Z=0.15570000
          MULT= 4          ISPLIT= 8
      -1: X=0.73030000 Y=0.65950000 Z=0.65570000
      -1: X=0.26970000 Y=0.15950000 Z=0.84430000
      -1: X=0.23030000 Y=0.84050000 Z=0.34430000
Ba         NPT=  781  R0=.000010000 RMT= 2.41        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=0.31380000 Y=0.15190000 Z=0.58480000
          MULT= 4          ISPLIT= 8
      -2: X=0.18620000 Y=0.84810000 Z=0.08480000
      -2: X=0.81380000 Y=0.34810000 Z=0.41520000
      -2: X=0.68620000 Y=0.65190000 Z=0.91520000
Al         NPT=  781  R0=.000100000 RMT= 1.62        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=0.06420000 Y=0.10460000 Z=0.02400000
          MULT= 4          ISPLIT= 8
      -3: X=0.43580000 Y=0.89540000 Z=0.52400000
      -3: X=0.56420000 Y=0.39540000 Z=0.97600000
      -3: X=0.93580000 Y=0.60460000 Z=0.47600000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36640000 Y=0.03490000 Z=0.16880000
          MULT= 4          ISPLIT= 8
      -4: X=0.13360000 Y=0.96510000 Z=0.66880000
      -4: X=0.86640000 Y=0.46510000 Z=0.83120000
      -4: X=0.63360000 Y=0.53490000 Z=0.33120000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.29960000 Y=0.58340000 Z=0.14590000
          MULT= 4          ISPLIT= 8
      -5: X=0.20040000 Y=0.41660000 Z=0.64590000
      -5: X=0.79960000 Y=0.91660000 Z=0.85410000
      -5: X=0.70040000 Y=0.08340000 Z=0.35410000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09370000 Y=0.34970000 Z=0.32920000
          MULT= 4          ISPLIT= 8
      -6: X=0.40630000 Y=0.65030000 Z=0.82920000
      -6: X=0.59370000 Y=0.15030000 Z=0.67080000
      -6: X=0.90630000 Y=0.84970000 Z=0.17080000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.02420000 Y=0.15990000 Z=0.49890000
          MULT= 4          ISPLIT= 8
      -7: X=0.47580000 Y=0.84010000 Z=0.99890000
      -7: X=0.52420000 Y=0.34010000 Z=0.50110000
      -7: X=0.97580000 Y=0.65990000 Z=0.00110000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000