P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.698582 18.015704 12.708408 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.51000000 Y=0.75000000 Z=0.00000000
      -1: X=0.99000000 Y=0.25000000 Z=0.50000000
      -1: X=0.01000000 Y=0.75000000 Z=0.50000000
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  -2: X=0.00570000 Y=0.25000000 Z=0.03460000
          MULT= 4          ISPLIT= 8
      -2: X=0.99430000 Y=0.75000000 Z=0.96540000
      -2: X=0.50570000 Y=0.25000000 Z=0.46540000
      -2: X=0.49430000 Y=0.75000000 Z=0.53460000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        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=0.27900000 Y=0.51710000 Z=0.22100000
          MULT= 8          ISPLIT= 8
      -3: X=0.72100000 Y=0.48290000 Z=0.77900000
      -3: X=0.77900000 Y=0.51710000 Z=0.27900000
      -3: X=0.22100000 Y=0.48290000 Z=0.72100000
      -3: X=0.22100000 Y=0.01710000 Z=0.72100000
      -3: X=0.77900000 Y=0.98290000 Z=0.27900000
      -3: X=0.72100000 Y=0.01710000 Z=0.77900000
      -3: X=0.27900000 Y=0.98290000 Z=0.22100000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 2.19        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000