P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.546674 13.835063 13.588832 90.000000 90.000000108.433000                   
ATOM  -1: X=0.55179000 Y=0.21461000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.44821000 Y=0.78539000 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=0.06045000 Y=0.24439000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.93955000 Y=0.75561000 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=0.70409000 Y=0.78620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.29591000 Y=0.21380000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 2.21        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=0.41838000 Y=0.62101000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.58162000 Y=0.37899000 Z=0.75000000
Te         NPT=  781  R0=.000010000 RMT= 2.41        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=0.88679000 Y=0.59793000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.11321000 Y=0.40207000 Z=0.75000000
Te         NPT=  781  R0=.000010000 RMT= 2.41        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=0.23956000 Y=0.00214000 Z=0.00489000
          MULT= 4          ISPLIT= 8
      -6: X=0.76044000 Y=0.99786000 Z=0.99511000
      -6: X=0.76044000 Y=0.99786000 Z=0.50489000
      -6: X=0.23956000 Y=0.00214000 Z=0.49511000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000