R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.432940 22.432940 56.882645 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41180000 Y=0.08820000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.58820000 Y=0.91180000 Z=0.75000000
      -1: X=0.08820000 Y=0.25000000 Z=0.41180000
      -1: X=0.91180000 Y=0.75000000 Z=0.58820000
      -1: X=0.25000000 Y=0.41180000 Z=0.08820000
      -1: X=0.75000000 Y=0.58820000 Z=0.91180000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.17280000 Y=0.17280000 Z=0.17280000
          MULT= 4          ISPLIT= 4
      -2: X=0.82720000 Y=0.82720000 Z=0.82720000
      -2: X=0.67280000 Y=0.67280000 Z=0.67280000
      -2: X=0.32720000 Y=0.32720000 Z=0.32720000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.76880000 Y=0.73120000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.23120000 Y=0.26880000 Z=0.75000000
      -3: X=0.73120000 Y=0.25000000 Z=0.76880000
      -3: X=0.26880000 Y=0.75000000 Z=0.23120000
      -3: X=0.25000000 Y=0.76880000 Z=0.73120000
      -3: X=0.75000000 Y=0.23120000 Z=0.26880000
Ga         NPT=  781  R0=.000050000 RMT= 2.20        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28130000 Y=0.09649000 Z=0.69280000
          MULT=12          ISPLIT= 8
      -4: X=0.71870000 Y=0.90351000 Z=0.30720000
      -4: X=0.09649000 Y=0.69280000 Z=0.28130000
      -4: X=0.90351000 Y=0.30720000 Z=0.71870000
      -4: X=0.78130000 Y=0.19280000 Z=0.59649000
      -4: X=0.21870000 Y=0.80720000 Z=0.40351000
      -4: X=0.69280000 Y=0.28130000 Z=0.09649000
      -4: X=0.30720000 Y=0.71870000 Z=0.90351000
      -4: X=0.19280000 Y=0.59649000 Z=0.78130000
      -4: X=0.80720000 Y=0.40351000 Z=0.21870000
      -4: X=0.59649000 Y=0.78130000 Z=0.19280000
      -4: X=0.40351000 Y=0.21870000 Z=0.80720000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.31320000 Y=0.93009000 Z=0.03820000
          MULT=12          ISPLIT= 8
      -5: X=0.68680000 Y=0.06991000 Z=0.96180000
      -5: X=0.93009000 Y=0.03820000 Z=0.31320000
      -5: X=0.06991000 Y=0.96180000 Z=0.68680000
      -5: X=0.81320000 Y=0.53820000 Z=0.43009000
      -5: X=0.18680000 Y=0.46180000 Z=0.56991000
      -5: X=0.03820000 Y=0.31320000 Z=0.93009000
      -5: X=0.96180000 Y=0.68680000 Z=0.06991000
      -5: X=0.53820000 Y=0.43009000 Z=0.81320000
      -5: X=0.46180000 Y=0.56991000 Z=0.18680000
      -5: X=0.43009000 Y=0.81320000 Z=0.53820000
      -5: X=0.56991000 Y=0.18680000 Z=0.46180000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000