B   LATTICE,NONEQUIV.ATOMS  11   44 Imm2                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.270008 73.907189 13.880416 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.15793000
          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=0.00000000 Y=0.18515000 Z=0.50596000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.81485000 Z=0.50596000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.11412000 Z=0.00579000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.88588000 Z=0.00579000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.44570000 Z=0.14438000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.55430000 Z=0.14438000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.30168000 Z=0.52506000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.69832000 Z=0.52506000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.08911000 Z=0.50265000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.91089000 Z=0.50265000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.24053000 Z=0.08436000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75947000 Z=0.08436000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.50000000 Z=0.97400000
          MULT= 1          ISPLIT= 8
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00000000 Y=0.44774000 Z=0.48410000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.55226000 Z=0.48410000
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.00000000 Y=0.34632000 Z=0.75830000
          MULT= 2          ISPLIT= 8
     -10: X=0.00000000 Y=0.65368000 Z=0.75830000
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -11: X=0.00000000 Y=0.34121000 Z=0.27270000
          MULT= 2          ISPLIT= 8
     -11: X=0.00000000 Y=0.65879000 Z=0.27270000
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000