R   LATTICE,NONEQUIV.ATOMS   5  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 13.007364 13.007364 16.775477 90.000000 90.000000120.000000                   
ATOM  -1: X=0.48452000 Y=0.48452000 Z=0.48452000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.61        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.40057000 Y=0.17466000 Z=0.67152000
          MULT= 3          ISPLIT= 8
      -2: X=0.17466000 Y=0.67152000 Z=0.40057000
      -2: X=0.67152000 Y=0.40057000 Z=0.17466000
O          NPT=  781  R0=.000100000 RMT= 1.78        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=0.68731000 Y=0.68731000 Z=0.68731000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.78        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  -4: X=0.68517000 Y=0.89575000 Z=0.19287000
          MULT= 3          ISPLIT= 8
      -4: X=0.89575000 Y=0.19287000 Z=0.68517000
      -4: X=0.19287000 Y=0.68517000 Z=0.89575000
K          NPT=  781  R0=.000050000 RMT= 2.31        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.18483000 Y=0.18483000 Z=0.18483000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.31        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000