R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.069131  8.069131 77.289801 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.42730000 Y=0.42730000 Z=0.42730000
          MULT= 2          ISPLIT= 4
      -2: X=0.57270000 Y=0.57270000 Z=0.57270000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12840000 Y=0.12840000 Z=0.12840000
          MULT= 2          ISPLIT= 4
      -3: X=0.87160000 Y=0.87160000 Z=0.87160000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29080000 Y=0.29080000 Z=0.29080000
          MULT= 2          ISPLIT= 4
      -4: X=0.70920000 Y=0.70920000 Z=0.70920000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000