P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.757206  8.503768 14.720967 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01380000 Y=0.25000000 Z=0.68270000
          MULT= 4          ISPLIT= 8
      -1: X=0.98620000 Y=0.75000000 Z=0.31730000
      -1: X=0.51380000 Y=0.25000000 Z=0.81730000
      -1: X=0.48620000 Y=0.75000000 Z=0.18270000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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  -2: X=0.29140000 Y=0.25000000 Z=0.38750000
          MULT= 4          ISPLIT= 8
      -2: X=0.70860000 Y=0.75000000 Z=0.61250000
      -2: X=0.79140000 Y=0.25000000 Z=0.11250000
      -2: X=0.20860000 Y=0.75000000 Z=0.88750000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15470000 Y=0.25000000 Z=0.06930000
          MULT= 4          ISPLIT= 8
      -3: X=0.84530000 Y=0.75000000 Z=0.93070000
      -3: X=0.65470000 Y=0.25000000 Z=0.43070000
      -3: X=0.34530000 Y=0.75000000 Z=0.56930000
Al         NPT=  781  R0=.000100000 RMT= 2.25        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000