P   LATTICE,NONEQUIV.ATOMS   5   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.206052 10.869705  9.834135 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.72440000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.27560000 Z=0.75000000
      -1: X=0.50000000 Y=0.22440000 Z=0.25000000
      -1: X=0.50000000 Y=0.77560000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.18        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16530000 Y=0.18340000 Z=0.29870000
          MULT= 8          ISPLIT= 8
      -2: X=0.83470000 Y=0.81660000 Z=0.70130000
      -2: X=0.66530000 Y=0.68340000 Z=0.20130000
      -2: X=0.33470000 Y=0.31660000 Z=0.79870000
      -2: X=0.33470000 Y=0.68340000 Z=0.29870000
      -2: X=0.66530000 Y=0.31660000 Z=0.70130000
      -2: X=0.83470000 Y=0.18340000 Z=0.20130000
      -2: X=0.16530000 Y=0.81660000 Z=0.79870000
Nb         NPT=  781  R0=.000010000 RMT= 1.75        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  -3: X=0.08930000 Y=0.40030000 Z=0.40400000
          MULT= 8          ISPLIT= 8
      -3: X=0.91070000 Y=0.59970000 Z=0.59600000
      -3: X=0.58930000 Y=0.90030000 Z=0.09600000
      -3: X=0.41070000 Y=0.09970000 Z=0.90400000
      -3: X=0.41070000 Y=0.90030000 Z=0.40400000
      -3: X=0.58930000 Y=0.09970000 Z=0.59600000
      -3: X=0.91070000 Y=0.40030000 Z=0.09600000
      -3: X=0.08930000 Y=0.59970000 Z=0.90400000
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  -4: X=0.10030000 Y=0.07200000 Z=0.00560000
          MULT= 8          ISPLIT= 8
      -4: X=0.89970000 Y=0.92800000 Z=0.99440000
      -4: X=0.60030000 Y=0.57200000 Z=0.49440000
      -4: X=0.39970000 Y=0.42800000 Z=0.50560000
      -4: X=0.39970000 Y=0.57200000 Z=0.00560000
      -4: X=0.60030000 Y=0.42800000 Z=0.99440000
      -4: X=0.89970000 Y=0.07200000 Z=0.49440000
      -4: X=0.10030000 Y=0.92800000 Z=0.50560000
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=0.25760000 Y=0.36490000 Z=0.12660000
          MULT= 8          ISPLIT= 8
      -5: X=0.74240000 Y=0.63510000 Z=0.87340000
      -5: X=0.75760000 Y=0.86490000 Z=0.37340000
      -5: X=0.24240000 Y=0.13510000 Z=0.62660000
      -5: X=0.24240000 Y=0.86490000 Z=0.12660000
      -5: X=0.75760000 Y=0.13510000 Z=0.87340000
      -5: X=0.74240000 Y=0.36490000 Z=0.37340000
      -5: X=0.25760000 Y=0.63510000 Z=0.62660000
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