P   LATTICE,NONEQUIV.ATOMS   9   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.316661 17.342017 18.802775 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18160000 Y=0.05950000 Z=0.56310000
          MULT= 4          ISPLIT= 8
      -1: X=0.81840000 Y=0.94050000 Z=0.06310000
      -1: X=0.31840000 Y=0.55950000 Z=0.06310000
      -1: X=0.68160000 Y=0.44050000 Z=0.56310000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.16520000 Y=0.10350000 Z=0.08060000
          MULT= 4          ISPLIT= 8
      -2: X=0.83480000 Y=0.89650000 Z=0.58060000
      -2: X=0.33480000 Y=0.60350000 Z=0.58060000
      -2: X=0.66520000 Y=0.39650000 Z=0.08060000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.41880000 Y=0.19920000 Z=0.13560000
          MULT= 4          ISPLIT= 8
      -3: X=0.58120000 Y=0.80080000 Z=0.63560000
      -3: X=0.08120000 Y=0.69920000 Z=0.63560000
      -3: X=0.91880000 Y=0.30080000 Z=0.13560000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05530000 Y=0.67780000 Z=0.02710000
          MULT= 4          ISPLIT= 8
      -4: X=0.94470000 Y=0.32220000 Z=0.52710000
      -4: X=0.44470000 Y=0.17780000 Z=0.52710000
      -4: X=0.55530000 Y=0.82220000 Z=0.02710000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21160000 Y=0.37480000 Z=0.34260000
          MULT= 4          ISPLIT= 8
      -5: X=0.78840000 Y=0.62520000 Z=0.84260000
      -5: X=0.28840000 Y=0.87480000 Z=0.84260000
      -5: X=0.71160000 Y=0.12520000 Z=0.34260000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.21490000 Y=0.34260000 Z=0.79690000
          MULT= 4          ISPLIT= 8
      -6: X=0.78510000 Y=0.65740000 Z=0.29690000
      -6: X=0.28510000 Y=0.84260000 Z=0.29690000
      -6: X=0.71490000 Y=0.15740000 Z=0.79690000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.50420000 Y=0.54600000 Z=0.31760000
          MULT= 4          ISPLIT= 8
      -7: X=0.49580000 Y=0.45400000 Z=0.81760000
      -7: X=0.99580000 Y=0.04600000 Z=0.81760000
      -7: X=0.00420000 Y=0.95400000 Z=0.31760000
Te         NPT=  781  R0=.000010000 RMT= 2.46        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.06340000 Y=0.52320000 Z=0.43780000
          MULT= 4          ISPLIT= 8
      -8: X=0.93660000 Y=0.47680000 Z=0.93780000
      -8: X=0.43660000 Y=0.02320000 Z=0.93780000
      -8: X=0.56340000 Y=0.97680000 Z=0.43780000
Ge         NPT=  781  R0=.000050000 RMT= 2.32        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.02270000 Y=0.32270000 Z=0.77120000
          MULT= 4          ISPLIT= 8
      -9: X=0.97730000 Y=0.67730000 Z=0.27120000
      -9: X=0.47730000 Y=0.82270000 Z=0.27120000
      -9: X=0.52270000 Y=0.17730000 Z=0.77120000
Ge         NPT=  781  R0=.000050000 RMT= 2.32        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000