R   LATTICE,NONEQUIV.ATOMS   8  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 33.557757 33.557757 14.753084 90.000000 90.000000120.000000                   
ATOM  -1: X=0.77500000 Y=0.98059000 Z=0.24320000
          MULT= 6          ISPLIT= 8
      -1: X=0.98059000 Y=0.24320000 Z=0.77500000
      -1: X=0.77500000 Y=0.24320000 Z=0.98059000
      -1: X=0.24320000 Y=0.77500000 Z=0.98059000
      -1: X=0.24320000 Y=0.98059000 Z=0.77500000
      -1: X=0.98059000 Y=0.77500000 Z=0.24320000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.59580000 Y=0.33409000 Z=0.59580000
          MULT= 3          ISPLIT= 8
      -2: X=0.33409000 Y=0.59580000 Z=0.59580000
      -2: X=0.59580000 Y=0.59580000 Z=0.33409000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.40460000 Y=0.83709000 Z=0.40460000
          MULT= 3          ISPLIT= 8
      -3: X=0.83709000 Y=0.40460000 Z=0.40460000
      -3: X=0.40460000 Y=0.40460000 Z=0.83709000
As         NPT=  781  R0=.000050000 RMT= 2.26        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.05690000 Y=0.05690000 Z=0.05690000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 2.26        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04140000 Y=0.39639000 Z=0.58750000
          MULT= 6          ISPLIT= 8
      -5: X=0.39639000 Y=0.58750000 Z=0.04140000
      -5: X=0.04140000 Y=0.58750000 Z=0.39639000
      -5: X=0.58750000 Y=0.04140000 Z=0.39639000
      -5: X=0.58750000 Y=0.39639000 Z=0.04140000
      -5: X=0.39639000 Y=0.04140000 Z=0.58750000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.63190000 Y=0.88839000 Z=0.63190000
          MULT= 3          ISPLIT= 8
      -6: X=0.88839000 Y=0.63190000 Z=0.63190000
      -6: X=0.63190000 Y=0.63190000 Z=0.88839000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.13050000 Y=0.32780000 Z=0.13050000
          MULT= 3          ISPLIT= 8
      -7: X=0.32780000 Y=0.13050000 Z=0.13050000
      -7: X=0.13050000 Y=0.13050000 Z=0.32780000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.91840000 Y=0.47321000 Z=0.91840000
          MULT= 3          ISPLIT= 8
      -8: X=0.47321000 Y=0.91840000 Z=0.91840000
      -8: X=0.91840000 Y=0.91840000 Z=0.47321000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000