P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.750695 16.609937 11.697405 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02229000 Y=0.25000000 Z=0.49589000
          MULT= 4          ISPLIT= 8
      -1: X=0.97771000 Y=0.75000000 Z=0.50411000
      -1: X=0.52229000 Y=0.25000000 Z=0.00411000
      -1: X=0.47771000 Y=0.75000000 Z=0.99589000
K          NPT=  781  R0=.000050000 RMT= 2.49        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.05        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  -3: X=0.48475000 Y=0.25000000 Z=0.56493000
          MULT= 4          ISPLIT= 8
      -3: X=0.51525000 Y=0.75000000 Z=0.43507000
      -3: X=0.98475000 Y=0.25000000 Z=0.93507000
      -3: X=0.01525000 Y=0.75000000 Z=0.06493000
F          NPT=  781  R0=.000100000 RMT= 2.15        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28886000 Y=0.03233000 Z=0.21125000
          MULT= 8          ISPLIT= 8
      -4: X=0.71114000 Y=0.96767000 Z=0.78875000
      -4: X=0.78886000 Y=0.03233000 Z=0.28875000
      -4: X=0.21114000 Y=0.96767000 Z=0.71125000
      -4: X=0.21114000 Y=0.53233000 Z=0.71125000
      -4: X=0.78886000 Y=0.46767000 Z=0.28875000
      -4: X=0.71114000 Y=0.53233000 Z=0.78875000
      -4: X=0.28886000 Y=0.46767000 Z=0.21125000
F          NPT=  781  R0=.000100000 RMT= 2.15        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000