R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.606148  7.606148 54.352300 90.000000 90.000000120.000000                   
ATOM  -1: X=0.22200000 Y=0.22200000 Z=0.22200000
          MULT= 2          ISPLIT= 4
      -1: X=0.77800000 Y=0.77800000 Z=0.77800000
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=0.40100000 Y=0.40100000 Z=0.40100000
          MULT= 2          ISPLIT= 4
      -2: X=0.59900000 Y=0.59900000 Z=0.59900000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
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=0.00000000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000