P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.007870  6.946633 10.463414 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04761000 Y=0.25000000 Z=0.57449000
          MULT= 4          ISPLIT= 8
      -1: X=0.95239000 Y=0.75000000 Z=0.42551000
      -1: X=0.54761000 Y=0.25000000 Z=0.92551000
      -1: X=0.45239000 Y=0.75000000 Z=0.07449000
Li         NPT=  781  R0=.000100000 RMT= 1.81        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.15617000 Y=0.25000000 Z=0.02651000
          MULT= 4          ISPLIT= 8
      -2: X=0.84383000 Y=0.75000000 Z=0.97349000
      -2: X=0.65617000 Y=0.25000000 Z=0.47349000
      -2: X=0.34383000 Y=0.75000000 Z=0.52651000
Ca         NPT=  781  R0=.000050000 RMT= 2.34        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  -3: X=0.40749000 Y=0.25000000 Z=0.24018000
          MULT= 4          ISPLIT= 8
      -3: X=0.59251000 Y=0.75000000 Z=0.75982000
      -3: X=0.90749000 Y=0.25000000 Z=0.25982000
      -3: X=0.09251000 Y=0.75000000 Z=0.74018000
N          NPT=  781  R0=.000100000 RMT= 2.11        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000