R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.460951 23.460951 57.466570 90.000000 90.000000120.000000                   
ATOM  -1: X=0.40620000 Y=0.09380000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.59380000 Y=0.90620000 Z=0.75000000
      -1: X=0.09380000 Y=0.25000000 Z=0.40620000
      -1: X=0.90620000 Y=0.75000000 Z=0.59380000
      -1: X=0.25000000 Y=0.40620000 Z=0.09380000
      -1: X=0.75000000 Y=0.59380000 Z=0.90620000
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=0.17486000 Y=0.17486000 Z=0.17486000
          MULT= 4          ISPLIT= 4
      -2: X=0.82514000 Y=0.82514000 Z=0.82514000
      -2: X=0.67486000 Y=0.67486000 Z=0.67486000
      -2: X=0.32514000 Y=0.32514000 Z=0.32514000
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=0.75770000 Y=0.74230000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.24230000 Y=0.25770000 Z=0.75000000
      -3: X=0.74230000 Y=0.25000000 Z=0.75770000
      -3: X=0.25770000 Y=0.75000000 Z=0.24230000
      -3: X=0.25000000 Y=0.75770000 Z=0.74230000
      -3: X=0.75000000 Y=0.24230000 Z=0.25770000
Al         NPT=  781  R0=.000100000 RMT= 1.98        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.27622000 Y=0.09181000 Z=0.70142000
          MULT=12          ISPLIT= 8
      -4: X=0.72378000 Y=0.90819000 Z=0.29858000
      -4: X=0.09181000 Y=0.70142000 Z=0.27622000
      -4: X=0.90819000 Y=0.29858000 Z=0.72378000
      -4: X=0.77622000 Y=0.20142000 Z=0.59181000
      -4: X=0.22378000 Y=0.79858000 Z=0.40819000
      -4: X=0.70142000 Y=0.27622000 Z=0.09181000
      -4: X=0.29858000 Y=0.72378000 Z=0.90819000
      -4: X=0.20142000 Y=0.59181000 Z=0.77622000
      -4: X=0.79858000 Y=0.40819000 Z=0.22378000
      -4: X=0.59181000 Y=0.77622000 Z=0.20142000
      -4: X=0.40819000 Y=0.22378000 Z=0.79858000
Br         NPT=  781  R0=.000050000 RMT= 2.18        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=0.30284000 Y=0.92983000 Z=0.04684000
          MULT=12          ISPLIT= 8
      -5: X=0.69716000 Y=0.07017000 Z=0.95316000
      -5: X=0.92983000 Y=0.04684000 Z=0.30284000
      -5: X=0.07017000 Y=0.95316000 Z=0.69716000
      -5: X=0.80284000 Y=0.54684000 Z=0.42983000
      -5: X=0.19716000 Y=0.45316000 Z=0.57017000
      -5: X=0.04684000 Y=0.30284000 Z=0.92983000
      -5: X=0.95316000 Y=0.69716000 Z=0.07017000
      -5: X=0.54684000 Y=0.42983000 Z=0.80284000
      -5: X=0.45316000 Y=0.57017000 Z=0.19716000
      -5: X=0.42983000 Y=0.80284000 Z=0.54684000
      -5: X=0.57017000 Y=0.19716000 Z=0.45316000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000