P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.554309 20.539433 12.686676 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.19841000 Y=0.38470000 Z=0.01627000
          MULT= 8          ISPLIT= 8
      -1: X=0.80159000 Y=0.61530000 Z=0.98373000
      -1: X=0.69841000 Y=0.38470000 Z=0.48373000
      -1: X=0.30159000 Y=0.61530000 Z=0.51627000
      -1: X=0.30159000 Y=0.88470000 Z=0.01627000
      -1: X=0.69841000 Y=0.11530000 Z=0.98373000
      -1: X=0.80159000 Y=0.88470000 Z=0.48373000
      -1: X=0.19841000 Y=0.11530000 Z=0.51627000
Cl         NPT=  781  R0=.000100000 RMT= 1.37        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11145000 Y=0.28795000 Z=0.14952000
          MULT= 8          ISPLIT= 8
      -2: X=0.88855000 Y=0.71205000 Z=0.85048000
      -2: X=0.61145000 Y=0.28795000 Z=0.35048000
      -2: X=0.38855000 Y=0.71205000 Z=0.64952000
      -2: X=0.38855000 Y=0.78795000 Z=0.14952000
      -2: X=0.61145000 Y=0.21205000 Z=0.85048000
      -2: X=0.88855000 Y=0.78795000 Z=0.35048000
      -2: X=0.11145000 Y=0.21205000 Z=0.64952000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27177000 Y=0.00729000 Z=0.10498000
          MULT= 8          ISPLIT= 8
      -3: X=0.72823000 Y=0.99271000 Z=0.89502000
      -3: X=0.77177000 Y=0.00729000 Z=0.39502000
      -3: X=0.22823000 Y=0.99271000 Z=0.60498000
      -3: X=0.22823000 Y=0.50729000 Z=0.10498000
      -3: X=0.77177000 Y=0.49271000 Z=0.89502000
      -3: X=0.72823000 Y=0.50729000 Z=0.39502000
      -3: X=0.27177000 Y=0.49271000 Z=0.60498000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000