P   LATTICE,NONEQUIV.ATOMS   8   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.464806  9.888370 27.376463 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15130000 Y=0.13220000 Z=0.16910000
          MULT= 8          ISPLIT= 8
      -1: X=0.84870000 Y=0.86780000 Z=0.83090000
      -1: X=0.65130000 Y=0.63220000 Z=0.33090000
      -1: X=0.34870000 Y=0.36780000 Z=0.66910000
      -1: X=0.34870000 Y=0.63220000 Z=0.16910000
      -1: X=0.65130000 Y=0.36780000 Z=0.83090000
      -1: X=0.84870000 Y=0.13220000 Z=0.33090000
      -1: X=0.15130000 Y=0.86780000 Z=0.66910000
Ti         NPT=  781  R0=.000050000 RMT= 1.80        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.43570000 Y=0.14500000 Z=0.34630000
          MULT= 8          ISPLIT= 8
      -2: X=0.56430000 Y=0.85500000 Z=0.65370000
      -2: X=0.93570000 Y=0.64500000 Z=0.15370000
      -2: X=0.06430000 Y=0.35500000 Z=0.84630000
      -2: X=0.06430000 Y=0.64500000 Z=0.34630000
      -2: X=0.93570000 Y=0.35500000 Z=0.65370000
      -2: X=0.56430000 Y=0.14500000 Z=0.15370000
      -2: X=0.43570000 Y=0.85500000 Z=0.84630000
Na         NPT=  781  R0=.000100000 RMT= 2.17        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15790000 Y=0.20390000 Z=0.47330000
          MULT= 8          ISPLIT= 8
      -3: X=0.84210000 Y=0.79610000 Z=0.52670000
      -3: X=0.65790000 Y=0.70390000 Z=0.02670000
      -3: X=0.34210000 Y=0.29610000 Z=0.97330000
      -3: X=0.34210000 Y=0.70390000 Z=0.47330000
      -3: X=0.65790000 Y=0.29610000 Z=0.52670000
      -3: X=0.84210000 Y=0.20390000 Z=0.02670000
      -3: X=0.15790000 Y=0.79610000 Z=0.97330000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00600000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.99400000 Z=0.75000000
      -4: X=0.50000000 Y=0.50600000 Z=0.25000000
      -4: X=0.50000000 Y=0.49400000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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  -5: X=0.18170000 Y=0.44070000 Z=0.22420000
          MULT= 8          ISPLIT= 8
      -5: X=0.81830000 Y=0.55930000 Z=0.77580000
      -5: X=0.68170000 Y=0.94070000 Z=0.27580000
      -5: X=0.31830000 Y=0.05930000 Z=0.72420000
      -5: X=0.31830000 Y=0.94070000 Z=0.22420000
      -5: X=0.68170000 Y=0.05930000 Z=0.77580000
      -5: X=0.81830000 Y=0.44070000 Z=0.27580000
      -5: X=0.18170000 Y=0.55930000 Z=0.72420000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.33360000 Y=0.29670000 Z=0.08480000
          MULT= 8          ISPLIT= 8
      -6: X=0.66640000 Y=0.70330000 Z=0.91520000
      -6: X=0.83360000 Y=0.79670000 Z=0.41520000
      -6: X=0.16640000 Y=0.20330000 Z=0.58480000
      -6: X=0.16640000 Y=0.79670000 Z=0.08480000
      -6: X=0.83360000 Y=0.20330000 Z=0.91520000
      -6: X=0.66640000 Y=0.29670000 Z=0.41520000
      -6: X=0.33360000 Y=0.70330000 Z=0.58480000
O          NPT=  781  R0=.000100000 RMT= 1.62        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  -7: X=0.00890000 Y=0.24280000 Z=0.07200000
          MULT= 8          ISPLIT= 8
      -7: X=0.99110000 Y=0.75720000 Z=0.92800000
      -7: X=0.50890000 Y=0.74280000 Z=0.42800000
      -7: X=0.49110000 Y=0.25720000 Z=0.57200000
      -7: X=0.49110000 Y=0.74280000 Z=0.07200000
      -7: X=0.50890000 Y=0.25720000 Z=0.92800000
      -7: X=0.99110000 Y=0.24280000 Z=0.42800000
      -7: X=0.00890000 Y=0.75720000 Z=0.57200000
O          NPT=  781  R0=.000100000 RMT= 1.62        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  -8: X=0.26430000 Y=0.44020000 Z=0.43300000
          MULT= 8          ISPLIT= 8
      -8: X=0.73570000 Y=0.55980000 Z=0.56700000
      -8: X=0.76430000 Y=0.94020000 Z=0.06700000
      -8: X=0.23570000 Y=0.05980000 Z=0.93300000
      -8: X=0.23570000 Y=0.94020000 Z=0.43300000
      -8: X=0.76430000 Y=0.05980000 Z=0.56700000
      -8: X=0.73570000 Y=0.44020000 Z=0.06700000
      -8: X=0.26430000 Y=0.55980000 Z=0.93300000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000