R   LATTICE,NONEQUIV.ATOMS   8  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 25.753189 25.753189 17.391146 90.000000 90.000000120.000000                   
ATOM  -1: X=0.07720000 Y=0.23160000 Z=0.69120000
          MULT= 3          ISPLIT= 8
      -1: X=0.23160000 Y=0.69120000 Z=0.07720000
      -1: X=0.69120000 Y=0.07720000 Z=0.23160000
Br         NPT=  781  R0=.000050000 RMT= 2.48        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.53990000 Y=0.61729000 Z=0.84320000
          MULT= 3          ISPLIT= 8
      -2: X=0.61729000 Y=0.84320000 Z=0.53990000
      -2: X=0.84320000 Y=0.53990000 Z=0.61729000
Br         NPT=  781  R0=.000050000 RMT= 2.48        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31620000 Y=0.92380000 Z=0.77860000
          MULT= 3          ISPLIT= 8
      -3: X=0.92380000 Y=0.77860000 Z=0.31620000
      -3: X=0.77860000 Y=0.31620000 Z=0.92380000
Br         NPT=  781  R0=.000050000 RMT= 2.48        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.46800000 Y=0.38900000 Z=0.14620000
          MULT= 3          ISPLIT= 8
      -4: X=0.38900000 Y=0.14620000 Z=0.46800000
      -4: X=0.14620000 Y=0.46800000 Z=0.38900000
Br         NPT=  781  R0=.000050000 RMT= 2.48        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.47700000 Y=0.47700000 Z=0.47700000
          MULT= 1          ISPLIT= 4
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.70840000 Y=0.97739000 Z=0.90920000
          MULT= 3          ISPLIT= 8
      -6: X=0.97739000 Y=0.90920000 Z=0.70840000
      -6: X=0.90920000 Y=0.70840000 Z=0.97739000
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.30080000 Y=0.03970000 Z=0.10650000
          MULT= 3          ISPLIT= 8
      -7: X=0.03970000 Y=0.10650000 Z=0.30080000
      -7: X=0.10650000 Y=0.30080000 Z=0.03970000
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00300000 Y=0.00300000 Z=0.00300000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.93        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000