R   LATTICE,NONEQUIV.ATOMS   9  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.844016 19.844016 21.835785 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.42        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=0.35710000 Y=0.35710000 Z=0.35710000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.42        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  -3: X=0.66890000 Y=0.66890000 Z=0.66890000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.42        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  -4: X=0.16540000 Y=0.50820000 Z=0.81510000
          MULT= 6          ISPLIT= 8
      -4: X=0.50820000 Y=0.81510000 Z=0.16540000
      -4: X=0.16540000 Y=0.81510000 Z=0.50820000
      -4: X=0.81510000 Y=0.16540000 Z=0.50820000
      -4: X=0.81510000 Y=0.50820000 Z=0.16540000
      -4: X=0.50820000 Y=0.16540000 Z=0.81510000
Nb         NPT=  781  R0=.000010000 RMT= 1.76        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.38700000 Y=0.70200000 Z=0.95900000
          MULT= 6          ISPLIT= 8
      -5: X=0.70200000 Y=0.95900000 Z=0.38700000
      -5: X=0.38700000 Y=0.95900000 Z=0.70200000
      -5: X=0.95900000 Y=0.38700000 Z=0.70200000
      -5: X=0.95900000 Y=0.70200000 Z=0.38700000
      -5: X=0.70200000 Y=0.38700000 Z=0.95900000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.73700000 Y=0.02100000 Z=0.73700000
          MULT= 3          ISPLIT= 8
      -6: X=0.02100000 Y=0.73700000 Z=0.73700000
      -6: X=0.73700000 Y=0.73700000 Z=0.02100000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.03400000 Y=0.53200000 Z=0.03400000
          MULT= 3          ISPLIT= 8
      -7: X=0.53200000 Y=0.03400000 Z=0.03400000
      -7: X=0.03400000 Y=0.03400000 Z=0.53200000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.61800000 Y=0.34300000 Z=0.61800000
          MULT= 3          ISPLIT= 8
      -8: X=0.34300000 Y=0.61800000 Z=0.61800000
      -8: X=0.61800000 Y=0.61800000 Z=0.34300000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.24300000 Y=0.90100000 Z=0.24300000
          MULT= 3          ISPLIT= 8
      -9: X=0.90100000 Y=0.24300000 Z=0.24300000
      -9: X=0.24300000 Y=0.24300000 Z=0.90100000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000