B   LATTICE,NONEQUIV.ATOMS   4  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.599235 22.599235 11.105920 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29400000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.70600000 Z=0.00000000
      -1: X=0.70600000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.29400000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.36000000 Y=0.00000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.64000000 Z=0.50000000
      -2: X=0.64000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.36000000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09700000 Y=0.09700000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.09700000 Y=0.90300000 Z=0.75000000
      -3: X=0.90300000 Y=0.90300000 Z=0.25000000
      -3: X=0.90300000 Y=0.09700000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30000000 Y=0.30000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.30000000 Y=0.70000000 Z=0.75000000
      -4: X=0.70000000 Y=0.70000000 Z=0.25000000
      -4: X=0.70000000 Y=0.30000000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000