R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.449396 18.449396 26.794424 90.000000 90.000000120.000000                   
ATOM  -1: X=0.17655000 Y=0.17655000 Z=0.17655000
          MULT= 2          ISPLIT= 4
      -1: X=0.82345000 Y=0.82345000 Z=0.82345000
In         NPT=  781  R0=.000010000 RMT= 2.14        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12367000 Y=0.41503000 Z=0.71867000
          MULT= 6          ISPLIT= 8
      -2: X=0.87633000 Y=0.58497000 Z=0.28133000
      -2: X=0.41503000 Y=0.71867000 Z=0.12367000
      -2: X=0.58497000 Y=0.28133000 Z=0.87633000
      -2: X=0.71867000 Y=0.12367000 Z=0.41503000
      -2: X=0.28133000 Y=0.87633000 Z=0.58497000
I          NPT=  781  R0=.000010000 RMT= 1.82        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=0.42840000 Y=0.29930000 Z=0.08680000
          MULT= 6          ISPLIT= 8
      -3: X=0.57160000 Y=0.70070000 Z=0.91320000
      -3: X=0.29930000 Y=0.08680000 Z=0.42840000
      -3: X=0.70070000 Y=0.91320000 Z=0.57160000
      -3: X=0.08680000 Y=0.42840000 Z=0.29930000
      -3: X=0.91320000 Y=0.57160000 Z=0.70070000
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  -4: X=0.29020000 Y=0.93640000 Z=0.05180000
          MULT= 6          ISPLIT= 8
      -4: X=0.70980000 Y=0.06360000 Z=0.94820000
      -4: X=0.93640000 Y=0.05180000 Z=0.29020000
      -4: X=0.06360000 Y=0.94820000 Z=0.70980000
      -4: X=0.05180000 Y=0.29020000 Z=0.93640000
      -4: X=0.94820000 Y=0.70980000 Z=0.06360000
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  -5: X=0.26850000 Y=0.57089000 Z=0.78860000
          MULT= 6          ISPLIT= 8
      -5: X=0.73150000 Y=0.42911000 Z=0.21140000
      -5: X=0.57089000 Y=0.78860000 Z=0.26850000
      -5: X=0.42911000 Y=0.21140000 Z=0.73150000
      -5: X=0.78860000 Y=0.26850000 Z=0.57089000
      -5: X=0.21140000 Y=0.73150000 Z=0.42911000
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