P   LATTICE,NONEQUIV.ATOMS  11    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 21.618467 10.714747  8.991317 90.000000 90.000000 91.420000                   
ATOM  -1: X=0.09715000 Y=0.25330000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.90285000 Y=0.74670000 Z=0.25000000
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=0.48690000 Y=0.18630000 Z=0.74700000
          MULT= 2          ISPLIT= 8
      -2: X=0.51310000 Y=0.81370000 Z=0.24700000
Na         NPT=  781  R0=.000100000 RMT= 2.13        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32210000 Y=0.28870000 Z=0.25400000
          MULT= 2          ISPLIT= 8
      -3: X=0.67790000 Y=0.71130000 Z=0.75400000
Na         NPT=  781  R0=.000100000 RMT= 2.13        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65530000 Y=0.32220000 Z=0.29100000
          MULT= 2          ISPLIT= 8
      -4: X=0.34470000 Y=0.67780000 Z=0.79100000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19330000 Y=0.77580000 Z=0.29900000
          MULT= 2          ISPLIT= 8
      -5: X=0.80670000 Y=0.22420000 Z=0.79900000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.32220000 Y=0.40000000 Z=0.74300000
          MULT= 2          ISPLIT= 8
      -6: X=0.67780000 Y=0.60000000 Z=0.24300000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.52640000 Y=0.22600000 Z=0.26000000
          MULT= 2          ISPLIT= 8
      -7: X=0.47360000 Y=0.77400000 Z=0.76000000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.11690000 Y=0.53700000 Z=0.25400000
          MULT= 2          ISPLIT= 8
      -8: X=0.88310000 Y=0.46300000 Z=0.75400000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.12260000 Y=0.00900000 Z=0.23900000
          MULT= 2          ISPLIT= 8
      -9: X=0.87740000 Y=0.99100000 Z=0.73900000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.75860000 Y=0.18000000 Z=0.12700000
          MULT= 2          ISPLIT= 8
     -10: X=0.24140000 Y=0.82000000 Z=0.62700000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.31940000 Y=0.75500000 Z=0.13500000
          MULT= 2          ISPLIT= 8
     -11: X=0.68060000 Y=0.24500000 Z=0.63500000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000