P   LATTICE,NONEQUIV.ATOMS  18    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
 10.871405 13.851693 15.342686105.491000 94.387000112.421000                   
ATOM  -1: X=0.71164000 Y=0.78805000 Z=0.29337000
          MULT= 1          ISPLIT= 8
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=0.92440000 Y=0.78532000 Z=0.76911000
          MULT= 1          ISPLIT= 8
Pd         NPT=  781  R0=.000010000 RMT= 2.01        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01937000 Y=0.43214000 Z=0.46894000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01013000 Y=0.47934000 Z=0.98231000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.31885000 Y=0.13090000 Z=0.14231000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.39373000 Y=0.09502000 Z=0.63891000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.81900000 Y=0.57860000 Z=0.52630000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.13600000 Y=0.43470000 Z=0.67990000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.74300000 Y=0.18560000 Z=0.38830000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.78600000 Y=0.56250000 Z=0.88180000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.88100000 Y=0.48220000 Z=0.17790000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -12: X=0.29000000 Y=0.72600000 Z=0.06450000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -13: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -14: X=0.33800000 Y=0.39090000 Z=0.17060000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -15: X=0.19600000 Y=0.09780000 Z=0.33870000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -16: X=0.05400000 Y=0.00470000 Z=0.65020000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -17: X=0.52500000 Y=0.12870000 Z=0.85750000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        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 -18: X=0.40600000 Y=0.85080000 Z=0.52040000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000