P   LATTICE,NONEQUIV.ATOMS   8    6 Pm                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.496759  8.836359 12.496759 90.000000 90.000000 90.800000                   
ATOM  -1: X=0.02400000 Y=0.61400000 Z=0.00000000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.83        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=0.52400000 Y=0.61400000 Z=0.50000000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 1.83        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  -3: X=0.50900000 Y=0.09900000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00900000 Y=0.12900000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.57        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  -6: X=0.20000000 Y=0.58000000 Z=0.20900000
          MULT= 2          ISPLIT= 8
      -6: X=0.20000000 Y=0.58000000 Z=0.79100000
O          NPT=  781  R0=.000100000 RMT= 1.57        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  -7: X=0.70000000 Y=0.64800000 Z=0.29100000
          MULT= 2          ISPLIT= 8
      -7: X=0.70000000 Y=0.64800000 Z=0.70900000
O          NPT=  781  R0=.000100000 RMT= 1.57        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  -8: X=0.50000000 Y=0.22800000 Z=0.50000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000