P   LATTICE,NONEQUIV.ATOMS   7  115 P-4m2                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.405047 15.405047 10.805454 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22200000 Y=0.50000000 Z=0.30600000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.77800000 Z=0.69400000
      -1: X=0.77800000 Y=0.50000000 Z=0.30600000
      -1: X=0.50000000 Y=0.22200000 Z=0.69400000
Pb         NPT=  781  R0=.000005000 RMT= 2.19        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.22200000 Y=0.00000000 Z=0.19400000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.77800000 Z=0.80600000
      -2: X=0.77800000 Y=0.00000000 Z=0.19400000
      -2: X=0.00000000 Y=0.22200000 Z=0.80600000
Pb         NPT=  781  R0=.000005000 RMT= 2.19        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.06000000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.94000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.25000000 Y=0.25000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -6: X=0.25000000 Y=0.75000000 Z=0.50000000
      -6: X=0.75000000 Y=0.25000000 Z=0.50000000
      -6: X=0.75000000 Y=0.75000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 2.03        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.25000000 Y=0.75000000 Z=0.00000000
      -7: X=0.75000000 Y=0.25000000 Z=0.00000000
      -7: X=0.75000000 Y=0.75000000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 2.03        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000