P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.442438 14.659550 10.295039 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03590000 Y=0.25000000 Z=0.49240000
          MULT= 4          ISPLIT= 8
      -1: X=0.96410000 Y=0.75000000 Z=0.50760000
      -1: X=0.53590000 Y=0.25000000 Z=0.00760000
      -1: X=0.46410000 Y=0.75000000 Z=0.99240000
Ca         NPT=  781  R0=.000050000 RMT= 2.23        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=0.00000000 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
Nb         NPT=  781  R0=.000010000 RMT= 1.94        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.48000000 Y=0.25000000 Z=0.57640000
          MULT= 4          ISPLIT= 8
      -3: X=0.52000000 Y=0.75000000 Z=0.42360000
      -3: X=0.98000000 Y=0.25000000 Z=0.92360000
      -3: X=0.02000000 Y=0.75000000 Z=0.07640000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28710000 Y=0.03640000 Z=0.20870000
          MULT= 8          ISPLIT= 8
      -4: X=0.71290000 Y=0.96360000 Z=0.79130000
      -4: X=0.78710000 Y=0.03640000 Z=0.29130000
      -4: X=0.21290000 Y=0.96360000 Z=0.70870000
      -4: X=0.21290000 Y=0.53640000 Z=0.70870000
      -4: X=0.78710000 Y=0.46360000 Z=0.29130000
      -4: X=0.71290000 Y=0.53640000 Z=0.79130000
      -4: X=0.28710000 Y=0.46360000 Z=0.20870000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000