P   LATTICE,NONEQUIV.ATOMS   3   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.931379 11.721971 12.003540 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34712000 Y=0.10627000 Z=0.39487000
          MULT= 8          ISPLIT= 8
      -1: X=0.65288000 Y=0.89373000 Z=0.60513000
      -1: X=0.84712000 Y=0.60627000 Z=0.10513000
      -1: X=0.15288000 Y=0.39373000 Z=0.89487000
      -1: X=0.15288000 Y=0.60627000 Z=0.39487000
      -1: X=0.84712000 Y=0.39373000 Z=0.60513000
      -1: X=0.65288000 Y=0.10627000 Z=0.10513000
      -1: X=0.34712000 Y=0.89373000 Z=0.89487000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.04498000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.95502000 Z=0.75000000
      -2: X=0.50000000 Y=0.54498000 Z=0.25000000
      -2: X=0.50000000 Y=0.45502000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        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  -3: X=0.38790000 Y=0.25278000 Z=0.03142000
          MULT= 8          ISPLIT= 8
      -3: X=0.61210000 Y=0.74722000 Z=0.96858000
      -3: X=0.88790000 Y=0.75278000 Z=0.46858000
      -3: X=0.11210000 Y=0.24722000 Z=0.53142000
      -3: X=0.11210000 Y=0.75278000 Z=0.03142000
      -3: X=0.88790000 Y=0.24722000 Z=0.96858000
      -3: X=0.61210000 Y=0.25278000 Z=0.46858000
      -3: X=0.38790000 Y=0.74722000 Z=0.53142000
N          NPT=  781  R0=.000100000 RMT= 2.20        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000