R   LATTICE,NONEQUIV.ATOMS   2  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.147246 14.147246 39.457480 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41754000 Y=0.76059000 Z=0.07123000
          MULT= 6          ISPLIT= 8
      -1: X=0.58246000 Y=0.23941000 Z=0.92877000
      -1: X=0.76059000 Y=0.07123000 Z=0.41754000
      -1: X=0.23941000 Y=0.92877000 Z=0.58246000
      -1: X=0.07123000 Y=0.41754000 Z=0.76059000
      -1: X=0.92877000 Y=0.58246000 Z=0.23941000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16627000 Y=0.16627000 Z=0.16627000
          MULT= 2          ISPLIT= 4
      -2: X=0.83373000 Y=0.83373000 Z=0.83373000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000