R   LATTICE,NONEQUIV.ATOMS   2  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.500117 11.500117 31.518740 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
W          NPT=  781  R0=.000005000 RMT= 2.30        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08455000 Y=0.38105000 Z=0.77095000
          MULT= 6          ISPLIT= 8
      -2: X=0.91545000 Y=0.61895000 Z=0.22905000
      -2: X=0.38105000 Y=0.77095000 Z=0.08455000
      -2: X=0.61895000 Y=0.22905000 Z=0.91545000
      -2: X=0.77095000 Y=0.08455000 Z=0.38105000
      -2: X=0.22905000 Y=0.91545000 Z=0.61895000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000