P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.668389  8.151145 14.919388 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01401000 Y=0.25000000 Z=0.69800000
          MULT= 4          ISPLIT= 8
      -1: X=0.98599000 Y=0.75000000 Z=0.30200000
      -1: X=0.51401000 Y=0.25000000 Z=0.80200000
      -1: X=0.48599000 Y=0.75000000 Z=0.19800000
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=0.26835000 Y=0.25000000 Z=0.39772000
          MULT= 4          ISPLIT= 8
      -2: X=0.73165000 Y=0.75000000 Z=0.60228000
      -2: X=0.76835000 Y=0.25000000 Z=0.10228000
      -2: X=0.23165000 Y=0.75000000 Z=0.89772000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.14900000 Y=0.25000000 Z=0.06880000
          MULT= 4          ISPLIT= 8
      -3: X=0.85100000 Y=0.75000000 Z=0.93120000
      -3: X=0.64900000 Y=0.25000000 Z=0.43120000
      -3: X=0.35100000 Y=0.75000000 Z=0.56880000
Li         NPT=  781  R0=.000100000 RMT= 2.09        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000