H   LATTICE,NONEQUIV.ATOMS   6  173 P63     
MODE OF CALC=RELA unit=bohr
 20.418491 20.418491 11.802474 90.000000 90.000000120.000000
ATOM  -1: X=0.13461000 Y=0.35785000 Z=0.11782000
          MULT= 6          ISPLIT=15
      -1: X=0.77676000 Y=0.13461000 Z=0.61782000
      -1: X=0.64215000 Y=0.77676000 Z=0.11782000
      -1: X=0.86539000 Y=0.64215000 Z=0.61782000
      -1: X=0.22324000 Y=0.86539000 Z=0.11782000
      -1: X=0.35785000 Y=0.22324000 Z=0.61782000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.70010000
          MULT= 2          ISPLIT=15
      -2: X=0.66666666 Y=0.33333333 Z=0.20010000
Sn         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  50.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.05060000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.55060000
Ag         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  47.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.51554000 Y=0.08924000 Z=0.36620000
          MULT= 6          ISPLIT=15
      -4: X=0.42630000 Y=0.51554000 Z=0.86620000
      -4: X=0.91076000 Y=0.42630000 Z=0.36620000
      -4: X=0.48446000 Y=0.91076000 Z=0.86620000
      -4: X=0.57370000 Y=0.48446000 Z=0.36620000
      -4: X=0.08924000 Y=0.57370000 Z=0.86620000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26924000 Y=0.16578000 Z=0.09730000
          MULT= 6          ISPLIT=15
      -5: X=0.10346000 Y=0.26924000 Z=0.59730000
      -5: X=0.83422000 Y=0.10346000 Z=0.09730000
      -5: X=0.73076000 Y=0.83422000 Z=0.59730000
      -5: X=0.89654000 Y=0.73076000 Z=0.09730000
      -5: X=0.16578000 Y=0.89654000 Z=0.59730000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.30360000
          MULT= 2          ISPLIT=15
      -6: X=0.66666666 Y=0.33333333 Z=0.80360000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000