P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.282885  7.883937 15.809449 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.23000000 Y=0.25000000 Z=0.37000000
          MULT= 4          ISPLIT= 8
      -1: X=0.77000000 Y=0.75000000 Z=0.63000000
      -1: X=0.73000000 Y=0.25000000 Z=0.13000000
      -1: X=0.27000000 Y=0.75000000 Z=0.87000000
Ca         NPT=  781  R0=.000050000 RMT= 1.94        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=0.35000000 Y=0.25000000 Z=0.07000000
          MULT= 4          ISPLIT= 8
      -2: X=0.65000000 Y=0.75000000 Z=0.93000000
      -2: X=0.85000000 Y=0.25000000 Z=0.43000000
      -2: X=0.15000000 Y=0.75000000 Z=0.57000000
Cl         NPT=  781  R0=.000100000 RMT= 1.94        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.02000000 Y=0.25000000 Z=0.17000000
          MULT= 4          ISPLIT= 8
      -3: X=0.98000000 Y=0.75000000 Z=0.83000000
      -3: X=0.52000000 Y=0.25000000 Z=0.33000000
      -3: X=0.48000000 Y=0.75000000 Z=0.67000000
Cl         NPT=  781  R0=.000100000 RMT= 1.94        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000