R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.651167  8.651167 49.231145 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          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  -2: X=0.13561000 Y=0.13561000 Z=0.13561000
          MULT= 2          ISPLIT= 4
      -2: X=0.86439000 Y=0.86439000 Z=0.86439000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42941000 Y=0.42941000 Z=0.42941000
          MULT= 2          ISPLIT= 4
      -3: X=0.57059000 Y=0.57059000 Z=0.57059000
Li         NPT=  781  R0=.000100000 RMT= 2.40        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24210000 Y=0.24210000 Z=0.24210000
          MULT= 2          ISPLIT= 4
      -4: X=0.75790000 Y=0.75790000 Z=0.75790000
Si         NPT=  781  R0=.000100000 RMT= 2.41        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000