P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.626404 14.936584 10.778053 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35360000 Y=0.50620000 Z=0.21130000
          MULT= 8          ISPLIT= 8
      -1: X=0.64640000 Y=0.49380000 Z=0.78870000
      -1: X=0.85360000 Y=0.50620000 Z=0.28870000
      -1: X=0.14640000 Y=0.49380000 Z=0.71130000
      -1: X=0.14640000 Y=0.00620000 Z=0.71130000
      -1: X=0.85360000 Y=0.99380000 Z=0.28870000
      -1: X=0.64640000 Y=0.00620000 Z=0.78870000
      -1: X=0.35360000 Y=0.99380000 Z=0.21130000
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=0.37800000 Y=0.25000000 Z=0.74630000
          MULT= 4          ISPLIT= 8
      -2: X=0.62200000 Y=0.75000000 Z=0.25370000
      -2: X=0.87800000 Y=0.25000000 Z=0.75370000
      -2: X=0.12200000 Y=0.75000000 Z=0.24630000
Mg         NPT=  781  R0=.000100000 RMT= 1.93        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.11360000 Y=0.25000000 Z=0.24310000
          MULT= 4          ISPLIT= 8
      -3: X=0.88640000 Y=0.75000000 Z=0.75690000
      -3: X=0.61360000 Y=0.25000000 Z=0.25690000
      -3: X=0.38640000 Y=0.75000000 Z=0.74310000
W          NPT=  781  R0=.000005000 RMT= 1.83        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.13400000 Y=0.00900000 Z=0.27020000
          MULT= 8          ISPLIT= 8
      -4: X=0.86600000 Y=0.99100000 Z=0.72980000
      -4: X=0.63400000 Y=0.00900000 Z=0.22980000
      -4: X=0.36600000 Y=0.99100000 Z=0.77020000
      -4: X=0.36600000 Y=0.50900000 Z=0.77020000
      -4: X=0.63400000 Y=0.49100000 Z=0.22980000
      -4: X=0.86600000 Y=0.50900000 Z=0.72980000
      -4: X=0.13400000 Y=0.49100000 Z=0.27020000
O          NPT=  781  R0=.000100000 RMT= 1.58        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  -5: X=0.00320000 Y=0.25000000 Z=0.48650000
          MULT= 4          ISPLIT= 8
      -5: X=0.99680000 Y=0.75000000 Z=0.51350000
      -5: X=0.50320000 Y=0.25000000 Z=0.01350000
      -5: X=0.49680000 Y=0.75000000 Z=0.98650000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00970000 Y=0.25000000 Z=0.00260000
          MULT= 4          ISPLIT= 8
      -6: X=0.99030000 Y=0.75000000 Z=0.99740000
      -6: X=0.50970000 Y=0.25000000 Z=0.49740000
      -6: X=0.49030000 Y=0.75000000 Z=0.50260000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.23590000 Y=0.25000000 Z=0.52530000
          MULT= 4          ISPLIT= 8
      -7: X=0.76410000 Y=0.75000000 Z=0.47470000
      -7: X=0.73590000 Y=0.25000000 Z=0.97470000
      -7: X=0.26410000 Y=0.75000000 Z=0.02530000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.25140000 Y=0.25000000 Z=0.03710000
          MULT= 4          ISPLIT= 8
      -8: X=0.74860000 Y=0.75000000 Z=0.96290000
      -8: X=0.75140000 Y=0.25000000 Z=0.46290000
      -8: X=0.24860000 Y=0.75000000 Z=0.53710000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000