P   LATTICE,NONEQUIV.ATOMS   7   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.857697 38.034518 13.596580 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.60710000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.39290000 Y=0.75000000 Z=0.00000000
      -1: X=0.60710000 Y=0.25000000 Z=0.50000000
      -1: X=0.39290000 Y=0.75000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.42        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=0.20860000 Y=0.61040000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.79140000 Y=0.38960000 Z=0.75000000
      -2: X=0.79140000 Y=0.11040000 Z=0.25000000
      -2: X=0.20860000 Y=0.88960000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.37        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20000000 Y=0.49550000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80000000 Y=0.50450000 Z=0.75000000
      -3: X=0.80000000 Y=0.99550000 Z=0.25000000
      -3: X=0.20000000 Y=0.00450000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.60700000 Y=0.36380000 Z=0.01400000
          MULT= 8          ISPLIT= 8
      -4: X=0.39300000 Y=0.63620000 Z=0.98600000
      -4: X=0.60700000 Y=0.36380000 Z=0.48600000
      -4: X=0.39300000 Y=0.63620000 Z=0.51400000
      -4: X=0.39300000 Y=0.86380000 Z=0.01400000
      -4: X=0.60700000 Y=0.13620000 Z=0.98600000
      -4: X=0.39300000 Y=0.86380000 Z=0.48600000
      -4: X=0.60700000 Y=0.13620000 Z=0.51400000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09200000 Y=0.16230000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.90800000 Y=0.83770000 Z=0.75000000
      -5: X=0.90800000 Y=0.66230000 Z=0.25000000
      -5: X=0.09200000 Y=0.33770000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29810000 Y=0.01180000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70190000 Y=0.98820000 Z=0.75000000
      -6: X=0.70190000 Y=0.51180000 Z=0.25000000
      -6: X=0.29810000 Y=0.48820000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.10640000 Y=0.32970000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.89360000 Y=0.67030000 Z=0.75000000
      -7: X=0.89360000 Y=0.82970000 Z=0.25000000
      -7: X=0.10640000 Y=0.17030000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000