R   LATTICE,NONEQUIV.ATOMS   7  148 R-3     
MODE OF CALC=RELA unit=bohr
 19.182611 19.182611 64.294151 90.000000 90.000000120.000000
ATOM  -1: X=0.17008000 Y=0.05658000 Z=0.86988000
          MULT= 6          ISPLIT=15
      -1: X=0.82992000 Y=0.94342000 Z=0.13012000
      -1: X=0.05658000 Y=0.86988000 Z=0.17008000
      -1: X=0.94342000 Y=0.13012000 Z=0.82992000
      -1: X=0.86988000 Y=0.17008000 Z=0.05658000
      -1: X=0.13012000 Y=0.82992000 Z=0.94342000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.09520000 Y=0.09520000 Z=0.09520000
          MULT= 2          ISPLIT=15
      -2: X=0.90480000 Y=0.90480000 Z=0.90480000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.35585000 Y=0.75495000 Z=0.98265000
          MULT= 6          ISPLIT=15
      -3: X=0.64415000 Y=0.24505000 Z=0.01735000
      -3: X=0.75495000 Y=0.98265000 Z=0.35585000
      -3: X=0.24505000 Y=0.01735000 Z=0.64415000
      -3: X=0.98265000 Y=0.35585000 Z=0.75495000
      -3: X=0.01735000 Y=0.64415000 Z=0.24505000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31721000 Y=0.58960000 Z=0.86731000
          MULT= 6          ISPLIT=15
      -4: X=0.68279000 Y=0.41040000 Z=0.13269000
      -4: X=0.58960000 Y=0.86731000 Z=0.31721000
      -4: X=0.41040000 Y=0.13269000 Z=0.68279000
      -4: X=0.86731000 Y=0.31721000 Z=0.58960000
      -4: X=0.13269000 Y=0.68279000 Z=0.41040000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36163000 Y=0.36163000 Z=0.36163000
          MULT= 2          ISPLIT=15
      -5: X=0.63837000 Y=0.63837000 Z=0.63837000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -6: X=0.30070000 Y=0.37060000 Z=0.70760000
          MULT= 6          ISPLIT=15
      -6: X=0.69930000 Y=0.62940000 Z=0.29240000
      -6: X=0.37060000 Y=0.70760000 Z=0.30070000
      -6: X=0.62940000 Y=0.29240000 Z=0.69930000
      -6: X=0.70760000 Y=0.30070000 Z=0.37060000
      -6: X=0.29240000 Y=0.69930000 Z=0.62940000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -7: X=0.44830000 Y=0.03609000 Z=0.14690000
          MULT= 6          ISPLIT=15
      -7: X=0.55170000 Y=0.96391000 Z=0.85310000
      -7: X=0.03609000 Y=0.14690000 Z=0.44830000
      -7: X=0.96391000 Y=0.85310000 Z=0.55170000
      -7: X=0.14690000 Y=0.44830000 Z=0.03609000
      -7: X=0.85310000 Y=0.55170000 Z=0.96391000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000