R   LATTICE,NONEQUIV.ATOMS   2  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.051729 12.051729 33.618038 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16670000 Y=0.16670000 Z=0.16670000
          MULT= 2          ISPLIT= 4
      -1: X=0.83330000 Y=0.83330000 Z=0.83330000
Sc         NPT=  781  R0=.000050000 RMT= 2.48        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.41990000 Y=0.76661000 Z=0.07620000
          MULT= 6          ISPLIT= 8
      -2: X=0.58010000 Y=0.23339000 Z=0.92380000
      -2: X=0.76661000 Y=0.07620000 Z=0.41990000
      -2: X=0.23339000 Y=0.92380000 Z=0.58010000
      -2: X=0.07620000 Y=0.41990000 Z=0.76661000
      -2: X=0.92380000 Y=0.58010000 Z=0.23339000
Cl         NPT=  781  R0=.000100000 RMT= 2.24        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000