P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.335970 13.220146 13.405339 90.000000 90.000000109.135000                   
ATOM  -1: X=0.04580000 Y=0.21266000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.95420000 Y=0.78734000 Z=0.75000000
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=0.57688000 Y=0.28540000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.42312000 Y=0.71460000 Z=0.75000000
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=0.21097000 Y=0.79291000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.78903000 Y=0.20709000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 2.19        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  -4: X=0.94204000 Y=0.63161000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.05796000 Y=0.36839000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36643000 Y=0.58570000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.63357000 Y=0.41430000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27294000 Y=0.01049000 Z=0.50883000
          MULT= 4          ISPLIT= 8
      -6: X=0.72706000 Y=0.98951000 Z=0.49117000
      -6: X=0.72706000 Y=0.98951000 Z=0.00883000
      -6: X=0.27294000 Y=0.01049000 Z=0.99117000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000