R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.614592 10.614592 52.111087 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37225000 Y=0.37225000 Z=0.37225000
          MULT= 2          ISPLIT= 4
      -1: X=0.62775000 Y=0.62775000 Z=0.62775000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21943000 Y=0.21943000 Z=0.21943000
          MULT= 2          ISPLIT= 4
      -2: X=0.78057000 Y=0.78057000 Z=0.78057000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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
Al         NPT=  781  R0=.000100000 RMT= 1.65        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.65        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  -5: X=0.89093000 Y=0.33507000 Z=0.89093000
          MULT= 6          ISPLIT= 8
      -5: X=0.10907000 Y=0.66493000 Z=0.10907000
      -5: X=0.33507000 Y=0.89093000 Z=0.89093000
      -5: X=0.66493000 Y=0.10907000 Z=0.10907000
      -5: X=0.89093000 Y=0.89093000 Z=0.33507000
      -5: X=0.10907000 Y=0.10907000 Z=0.66493000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.69038000 Y=0.23190000 Z=0.69038000
          MULT= 6          ISPLIT= 8
      -6: X=0.30962000 Y=0.76810000 Z=0.30962000
      -6: X=0.23190000 Y=0.69038000 Z=0.69038000
      -6: X=0.76810000 Y=0.30962000 Z=0.30962000
      -6: X=0.69038000 Y=0.69038000 Z=0.23190000
      -6: X=0.30962000 Y=0.30962000 Z=0.76810000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.09750000 Y=0.09750000 Z=0.09750000
          MULT= 2          ISPLIT= 4
      -7: X=0.90250000 Y=0.90250000 Z=0.90250000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000