R   LATTICE,NONEQUIV.ATOMS   6  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 11.532054 11.532054 26.765701 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00004000 Y=0.00004000 Z=0.00004000
          MULT= 1          ISPLIT= 4
I          NPT=  781  R0=.000010000 RMT= 1.84        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=0.49999000 Y=0.49999000 Z=0.49999000
          MULT= 1          ISPLIT= 4
I          NPT=  781  R0=.000010000 RMT= 1.84        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=0.74680000 Y=0.74680000 Z=0.74680000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     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  -4: X=0.24630000 Y=0.24630000 Z=0.24630000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.27050000 Y=0.14740000 Z=0.77500000
          MULT= 3          ISPLIT= 8
      -5: X=0.14740000 Y=0.77500000 Z=0.27050000
      -5: X=0.77500000 Y=0.27050000 Z=0.14740000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.27050000 Y=0.65190000 Z=0.76670000
          MULT= 3          ISPLIT= 8
      -6: X=0.65190000 Y=0.76670000 Z=0.27050000
      -6: X=0.76670000 Y=0.27050000 Z=0.65190000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000