R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.418292 11.418292 92.199737 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12908000 Y=0.12908000 Z=0.12908000
          MULT= 2          ISPLIT= 4
      -1: X=0.87092000 Y=0.87092000 Z=0.87092000
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=0.05213000 Y=0.05213000 Z=0.05213000
          MULT= 2          ISPLIT= 4
      -2: X=0.94787000 Y=0.94787000 Z=0.94787000
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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
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  -4: X=0.35934000 Y=0.35934000 Z=0.35934000
          MULT= 2          ISPLIT= 4
      -4: X=0.64066000 Y=0.64066000 Z=0.64066000
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  -5: X=0.28409000 Y=0.28409000 Z=0.28409000
          MULT= 2          ISPLIT= 4
      -5: X=0.71591000 Y=0.71591000 Z=0.71591000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.20094000 Y=0.20094000 Z=0.20094000
          MULT= 2          ISPLIT= 4
      -6: X=0.79906000 Y=0.79906000 Z=0.79906000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.58191000 Y=0.10981000 Z=0.58191000
          MULT= 6          ISPLIT= 8
      -7: X=0.41809000 Y=0.89019000 Z=0.41809000
      -7: X=0.10981000 Y=0.58191000 Z=0.58191000
      -7: X=0.89019000 Y=0.41809000 Z=0.41809000
      -7: X=0.58191000 Y=0.58191000 Z=0.10981000
      -7: X=0.41809000 Y=0.41809000 Z=0.89019000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000