R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.125584 20.125584 29.455159 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33880000 Y=0.33880000 Z=0.33880000
          MULT= 2          ISPLIT= 4
      -1: X=0.66120000 Y=0.66120000 Z=0.66120000
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=0.09770000 Y=0.09770000 Z=0.09770000
          MULT= 2          ISPLIT= 4
      -2: X=0.90230000 Y=0.90230000 Z=0.90230000
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=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29260000 Y=0.70740000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.70740000 Y=0.29260000 Z=0.00000000
      -4: X=0.70740000 Y=0.00000000 Z=0.29260000
      -4: X=0.29260000 Y=0.00000000 Z=0.70740000
      -4: X=0.00000000 Y=0.29260000 Z=0.70740000
      -4: X=0.00000000 Y=0.70740000 Z=0.29260000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.65300000 Y=0.15360000 Z=0.65300000
          MULT= 6          ISPLIT= 8
      -5: X=0.34700000 Y=0.84640000 Z=0.34700000
      -5: X=0.15360000 Y=0.65300000 Z=0.65300000
      -5: X=0.84640000 Y=0.34700000 Z=0.34700000
      -5: X=0.65300000 Y=0.65300000 Z=0.15360000
      -5: X=0.34700000 Y=0.34700000 Z=0.84640000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000